3-tert-butyl-N,N-dimethyl-5-(methylamino)benzamide;N-tert-butyl-3-(methylamino)benzamide;3-tert-butyl-N-methyl-5-(methylamino)benzamide;3-tert-butyl-N-methyl-5-(methylamino)-N-propylbenzamide;3-chloro-N,N-dimethyl-5-(methylamino)benzamide;3-chloro-N-methyl-5-(methylamino)benzamide;3-(dimethylamino)-N-methylbenzamide;N-(2-hydroxyethyl)-N-methyl-3-(methylamino)benzamide;3-methoxy-N,N-dimethyl-5-(methylamino)benzamide;3-methoxy-N-methyl-5-(methylamino)benzamide;3-(methylamino)-N-(oxan-2-ylmethyl)benzamide;N,N,3-trimethyl-5-(methylamino)benzamide

C141H206Cl2N24O16 — CID 158597450

IUPAC3-tert-butyl-N,N-dimethyl-5-(methylamino)benzamide;N-tert-butyl-3-(methylamino)benzamide;3-tert-butyl-N-methyl-5-(methylamino)benzamide;3-tert-butyl-N-methyl-5-(methylamino)-N-propylbenzamide;3-chloro-N,N-dimethyl-5-(methylamino)benzamide;3-chloro-N-methyl-5-(methylamino)benzamide;3-(dimethylamino)-N-methylbenzamide;N-(2-hydroxyethyl)-N-methyl-3-(methylamino)benzamide;3-methoxy-N,N-dimethyl-5-(methylamino)benzamide;3-methoxy-N-methyl-5-(methylamino)benzamide;3-(methylamino)-N-(oxan-2-ylmethyl)benzamide;N,N,3-trimethyl-5-(methylamino)benzamide
SMILESCCCN(C)C(=O)c1cc(NC)cc(C(C)(C)C)c1.CNC(=O)c1cc(Cl)cc(NC)c1.CNC(=O)c1cc(NC)cc(C(C)(C)C)c1.CNC(=O)c1cc(NC)cc(OC)c1.CNC(=O)c1cccc(N(C)C)c1.CNc1cc(C(=O)N(C)C)cc(C(C)(C)C)c1.CNc1cc(C)cc(C(=O)N(C)C)c1.CNc1cc(Cl)cc(C(=O)N(C)C)c1.CNc1cc(OC)cc(C(=O)N(C)C)c1.CNc1cccc(C(=O)N(C)CCO)c1.CNc1cccc(C(=O)NC(C)(C)C)c1.CNc1cccc(C(=O)NCC2CCCCO2)c1
InChIInChI=1S/C16H26N2O.C14H20N2O2.C14H22N2O.C13H20N2O.C12H18N2O.2C11H16N2O2.C11H16N2O.C10H13ClN2O.C10H14N2O2.C10H14N2O.C9H11ClN2O/c1-7-8-18(6)15(19)12-9-13(16(2,3)4)11-14(10-12)17-5;1-15-12-6-4-5-11(9-12)14(17)16-10-13-7-2-3-8-18-13;1-14(2,3)11-7-10(13(17)16(5)6)8-12(9-11)15-4;1-13(2,3)10-6-9(12(16)15-5)7-11(8-10)14-4;1-12(2,3)14-11(15)9-6-5-7-10(8-9)13-4;1-12-9-5-8(11(14)13(2)3)6-10(7-9)15-4;1-12-10-5-3-4-9(8-10)11(15)13(2)6-7-14;1-8-5-9(11(14)13(3)4)7-10(6-8)12-2;1-12-9-5-7(4-8(11)6-9)10(14)13(2)3;1-11-8-4-7(10(13)12-2)5-9(6-8)14-3;1-11-10(13)8-5-4-6-9(7-8)12(2)3;1-11-8-4-6(9(13)12-2)3-7(10)5-8/h9-11,17H,7-8H2,1-6H3;4-6,9,13,15H,2-3,7-8,10H2,1H3,(H,16,17);7-9,15H,1-6H3;6-8,14H,1-5H3,(H,15,16);5-8,13H,1-4H3,(H,14,15);5-7,12H,1-4H3;3-5,8,12,14H,6-7H2,1-2H3;5-7,12H,1-4H3;4-6,12H,1-3H3;4-6,11H,1-3H3,(H,12,13);4-7H,1-3H3,(H,11,13);3-5,11H,1-2H3,(H,12,13)
InChIKeyHVFDRQRTISMYGM-UHFFFAOYSA-N
MW2564.26 g/mol
LogP22.91
Rot. Bonds32

About 3-tert-butyl-N,N-dimethyl-5-(methylamino)benzamide;N-tert-butyl-3-(methylamino)benzamide;3-tert-butyl-N-methyl-5-(methylamino)benzamide;3-tert-butyl-N-methyl-5-(methylamino)-N-propylbenzamide;3-chloro-N,N-dimethyl-5-(methylamino)benzamide;3-chloro-N-methyl-5-(methylamino)benzamide;3-(dimethylamino)-N-methylbenzamide;N-(2-hydroxyethyl)-N-methyl-3-(methylamino)benzamide;3-methoxy-N,N-dimethyl-5-(methylamino)benzamide;3-methoxy-N-methyl-5-(methylamino)benzamide;3-(methylamino)-N-(oxan-2-ylmethyl)benzamide;N,N,3-trimethyl-5-(methylamino)benzamide

3-tert-butyl-N,N-dimethyl-5-(methylamino)benzamide;N-tert-butyl-3-(methylamino)benzamide;3-tert-butyl-N-methyl-5-(methylamino)benzamide;3-tert-butyl-N-methyl-5-(methylamino)-N-propylbenzamide;3-chloro-N,N-dimethyl-5-(methylamino)benzamide;3-chloro-N-methyl-5-(methylamino)benzamide;3-(dimethylamino)-N-methylbenzamide;N-(2-hydroxyethyl)-N-methyl-3-(methylamino)benzamide;3-methoxy-N,N-dimethyl-5-(methylamino)benzamide;3-methoxy-N-methyl-5-(methylamino)benzamide;3-(methylamino)-N-(oxan-2-ylmethyl)benzamide;N,N,3-trimethyl-5-(methylamino)benzamide (PubChem CID 158597450) has the molecular formula C141H206Cl2N24O16 and a molecular weight of 2564.26 g/mol. Its IUPAC name is 3-tert-butyl-N,N-dimethyl-5-(methylamino)benzamide;N-tert-butyl-3-(methylamino)benzamide;3-tert-butyl-N-methyl-5-(methylamino)benzamide;3-tert-butyl-N-methyl-5-(methylamino)-N-propylbenzamide;3-chloro-N,N-dimethyl-5-(methylamino)benzamide;3-chloro-N-methyl-5-(methylamino)benzamide;3-(dimethylamino)-N-methylbenzamide;N-(2-hydroxyethyl)-N-methyl-3-(methylamino)benzamide;3-methoxy-N,N-dimethyl-5-(methylamino)benzamide;3-methoxy-N-methyl-5-(methylamino)benzamide;3-(methylamino)-N-(oxan-2-ylmethyl)benzamide;N,N,3-trimethyl-5-(methylamino)benzamide.

Molecular Properties

Compound Name3-tert-butyl-N,N-dimethyl-5-(methylamino)benzamide;N-tert-butyl-3-(methylamino)benzamide;3-tert-butyl-N-methyl-5-(methylamino)benzamide;3-tert-butyl-N-methyl-5-(methylamino)-N-propylbenzamide;3-chloro-N,N-dimethyl-5-(methylamino)benzamide;3-chloro-N-methyl-5-(methylamino)benzamide;3-(dimethylamino)-N-methylbenzamide;N-(2-hydroxyethyl)-N-methyl-3-(methylamino)benzamide;3-methoxy-N,N-dimethyl-5-(methylamino)benzamide;3-methoxy-N-methyl-5-(methylamino)benzamide;3-(methylamino)-N-(oxan-2-ylmethyl)benzamide;N,N,3-trimethyl-5-(methylamino)benzamide
PubChem CID158597450
Molecular FormulaC141H206Cl2N24O16
Molecular Weight2564.26 g/mol
Exact Mass2561.54
IUPAC Name3-tert-butyl-N,N-dimethyl-5-(methylamino)benzamide;N-tert-butyl-3-(methylamino)benzamide;3-tert-butyl-N-methyl-5-(methylamino)benzamide;3-tert-butyl-N-methyl-5-(methylamino)-N-propylbenzamide;3-chloro-N,N-dimethyl-5-(methylamino)benzamide;3-chloro-N-methyl-5-(methylamino)benzamide;3-(dimethylamino)-N-methylbenzamide;N-(2-hydroxyethyl)-N-methyl-3-(methylamino)benzamide;3-methoxy-N,N-dimethyl-5-(methylamino)benzamide;3-methoxy-N-methyl-5-(methylamino)benzamide;3-(methylamino)-N-(oxan-2-ylmethyl)benzamide;N,N,3-trimethyl-5-(methylamino)benzamide
SMILESCCCN(C)C(=O)c1cc(NC)cc(C(C)(C)C)c1.CNC(=O)c1cc(Cl)cc(NC)c1.CNC(=O)c1cc(NC)cc(C(C)(C)C)c1.CNC(=O)c1cc(NC)cc(OC)c1.CNC(=O)c1cccc(N(C)C)c1.CNc1cc(C(=O)N(C)C)cc(C(C)(C)C)c1.CNc1cc(C)cc(C(=O)N(C)C)c1.CNc1cc(Cl)cc(C(=O)N(C)C)c1.CNc1cc(OC)cc(C(=O)N(C)C)c1.CNc1cccc(C(=O)N(C)CCO)c1.CNc1cccc(C(=O)NC(C)(C)C)c1.CNc1cccc(C(=O)NCC2CCCCO2)c1
InChIInChI=1S/C16H26N2O.C14H20N2O2.C14H22N2O.C13H20N2O.C12H18N2O.2C11H16N2O2.C11H16N2O.C10H13ClN2O.C10H14N2O2.C10H14N2O.C9H11ClN2O/c1-7-8-18(6)15(19)12-9-13(16(2,3)4)11-14(10-12)17-5;1-15-12-6-4-5-11(9-12)14(17)16-10-13-7-2-3-8-18-13;1-14(2,3)11-7-10(13(17)16(5)6)8-12(9-11)15-4;1-13(2,3)10-6-9(12(16)15-5)7-11(8-10)14-4;1-12(2,3)14-11(15)9-6-5-7-10(8-9)13-4;1-12-9-5-8(11(14)13(2)3)6-10(7-9)15-4;1-12-10-5-3-4-9(8-10)11(15)13(2)6-7-14;1-8-5-9(11(14)13(3)4)7-10(6-8)12-2;1-12-9-5-7(4-8(11)6-9)10(14)13(2)3;1-11-8-4-7(10(13)12-2)5-9(6-8)14-3;1-11-10(13)8-5-4-6-9(7-8)12(2)3;1-11-8-4-6(9(13)12-2)3-7(10)5-8/h9-11,17H,7-8H2,1-6H3;4-6,9,13,15H,2-3,7-8,10H2,1H3,(H,16,17);7-9,15H,1-6H3;6-8,14H,1-5H3,(H,15,16);5-8,13H,1-4H3,(H,14,15);5-7,12H,1-4H3;3-5,8,12,14H,6-7H2,1-2H3;5-7,12H,1-4H3;4-6,12H,1-3H3;4-6,11H,1-3H3,(H,12,13);4-7H,1-3H3,(H,11,13);3-5,11H,1-2H3,(H,12,13)
InChIKeyHVFDRQRTISMYGM-UHFFFAOYSA-N
XLogP22.91
TPSA479.95 Ų
H-Bond Donors18
H-Bond Acceptors28
Rotatable Bonds32
Heavy Atoms183
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002564.26
LogP ≤ 522.91
H-Bond Donors ≤ 518
H-Bond Acceptors ≤ 1028

Analyze 3-tert-butyl-N,N-dimethyl-5-(methylamino)benzamide;N-tert-butyl-3-(methylamino)benzamide;3-tert-butyl-N-methyl-5-(methylamino)benzamide;3-tert-butyl-N-methyl-5-(methylamino)-N-propylbenzamide;3-chloro-N,N-dimethyl-5-(methylamino)benzamide;3-chloro-N-methyl-5-(methylamino)benzamide;3-(dimethylamino)-N-methylbenzamide;N-(2-hydroxyethyl)-N-methyl-3-(methylamino)benzamide;3-methoxy-N,N-dimethyl-5-(methylamino)benzamide;3-methoxy-N-methyl-5-(methylamino)benzamide;3-(methylamino)-N-(oxan-2-ylmethyl)benzamide;N,N,3-trimethyl-5-(methylamino)benzamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-N,N-dimethyl-5-(methylamino)benzamide;N-tert-butyl-3-(methylamino)benzamide;3-tert-butyl-N-methyl-5-(methylamino)benzamide;3-tert-butyl-N-methyl-5-(methylamino)-N-propylbenzamide;3-chloro-N,N-dimethyl-5-(methylamino)benzamide;3-chloro-N-methyl-5-(methylamino)benzamide;3-(dimethylamino)-N-methylbenzamide;N-(2-hydroxyethyl)-N-methyl-3-(methylamino)benzamide;3-methoxy-N,N-dimethyl-5-(methylamino)benzamide;3-methoxy-N-methyl-5-(methylamino)benzamide;3-(methylamino)-N-(oxan-2-ylmethyl)benzamide;N,N,3-trimethyl-5-(methylamino)benzamide?
The IUPAC name of 3-tert-butyl-N,N-dimethyl-5-(methylamino)benzamide;N-tert-butyl-3-(methylamino)benzamide;3-tert-butyl-N-methyl-5-(methylamino)benzamide;3-tert-butyl-N-methyl-5-(methylamino)-N-propylbenzamide;3-chloro-N,N-dimethyl-5-(methylamino)benzamide;3-chloro-N-methyl-5-(methylamino)benzamide;3-(dimethylamino)-N-methylbenzamide;N-(2-hydroxyethyl)-N-methyl-3-(methylamino)benzamide;3-methoxy-N,N-dimethyl-5-(methylamino)benzamide;3-methoxy-N-methyl-5-(methylamino)benzamide;3-(methylamino)-N-(oxan-2-ylmethyl)benzamide;N,N,3-trimethyl-5-(methylamino)benzamide (CID 158597450) is 3-tert-butyl-N,N-dimethyl-5-(methylamino)benzamide;N-tert-butyl-3-(methylamino)benzamide;3-tert-butyl-N-methyl-5-(methylamino)benzamide;3-tert-butyl-N-methyl-5-(methylamino)-N-propylbenzamide;3-chloro-N,N-dimethyl-5-(methylamino)benzamide;3-chloro-N-methyl-5-(methylamino)benzamide;3-(dimethylamino)-N-methylbenzamide;N-(2-hydroxyethyl)-N-methyl-3-(methylamino)benzamide;3-methoxy-N,N-dimethyl-5-(methylamino)benzamide;3-methoxy-N-methyl-5-(methylamino)benzamide;3-(methylamino)-N-(oxan-2-ylmethyl)benzamide;N,N,3-trimethyl-5-(methylamino)benzamide.
What is the SMILES notation for 3-tert-butyl-N,N-dimethyl-5-(methylamino)benzamide;N-tert-butyl-3-(methylamino)benzamide;3-tert-butyl-N-methyl-5-(methylamino)benzamide;3-tert-butyl-N-methyl-5-(methylamino)-N-propylbenzamide;3-chloro-N,N-dimethyl-5-(methylamino)benzamide;3-chloro-N-methyl-5-(methylamino)benzamide;3-(dimethylamino)-N-methylbenzamide;N-(2-hydroxyethyl)-N-methyl-3-(methylamino)benzamide;3-methoxy-N,N-dimethyl-5-(methylamino)benzamide;3-methoxy-N-methyl-5-(methylamino)benzamide;3-(methylamino)-N-(oxan-2-ylmethyl)benzamide;N,N,3-trimethyl-5-(methylamino)benzamide?
The canonical SMILES for 3-tert-butyl-N,N-dimethyl-5-(methylamino)benzamide;N-tert-butyl-3-(methylamino)benzamide;3-tert-butyl-N-methyl-5-(methylamino)benzamide;3-tert-butyl-N-methyl-5-(methylamino)-N-propylbenzamide;3-chloro-N,N-dimethyl-5-(methylamino)benzamide;3-chloro-N-methyl-5-(methylamino)benzamide;3-(dimethylamino)-N-methylbenzamide;N-(2-hydroxyethyl)-N-methyl-3-(methylamino)benzamide;3-methoxy-N,N-dimethyl-5-(methylamino)benzamide;3-methoxy-N-methyl-5-(methylamino)benzamide;3-(methylamino)-N-(oxan-2-ylmethyl)benzamide;N,N,3-trimethyl-5-(methylamino)benzamide is CCCN(C)C(=O)c1cc(NC)cc(C(C)(C)C)c1.CNC(=O)c1cc(Cl)cc(NC)c1.CNC(=O)c1cc(NC)cc(C(C)(C)C)c1.CNC(=O)c1cc(NC)cc(OC)c1.CNC(=O)c1cccc(N(C)C)c1.CNc1cc(C(=O)N(C)C)cc(C(C)(C)C)c1.CNc1cc(C)cc(C(=O)N(C)C)c1.CNc1cc(Cl)cc(C(=O)N(C)C)c1.CNc1cc(OC)cc(C(=O)N(C)C)c1.CNc1cccc(C(=O)N(C)CCO)c1.CNc1cccc(C(=O)NC(C)(C)C)c1.CNc1cccc(C(=O)NCC2CCCCO2)c1.
What is the InChIKey of 3-tert-butyl-N,N-dimethyl-5-(methylamino)benzamide;N-tert-butyl-3-(methylamino)benzamide;3-tert-butyl-N-methyl-5-(methylamino)benzamide;3-tert-butyl-N-methyl-5-(methylamino)-N-propylbenzamide;3-chloro-N,N-dimethyl-5-(methylamino)benzamide;3-chloro-N-methyl-5-(methylamino)benzamide;3-(dimethylamino)-N-methylbenzamide;N-(2-hydroxyethyl)-N-methyl-3-(methylamino)benzamide;3-methoxy-N,N-dimethyl-5-(methylamino)benzamide;3-methoxy-N-methyl-5-(methylamino)benzamide;3-(methylamino)-N-(oxan-2-ylmethyl)benzamide;N,N,3-trimethyl-5-(methylamino)benzamide?
The InChIKey is HVFDRQRTISMYGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O.C14H20N2O2.C14H22N2O.C13H20N2O.C12H18N2O.2C11H16N2O2.C11H16N2O.C10H13ClN2O.C10H14N2O2.C10H14N2O.C9H11ClN2O/c1-7-8-18(6)15(19)12-9-13(16(2,3)4)11-14(10-12)17-5;1-15-12-6-4-5-11(9-12)14(17)16-10-13-7-2-3-8-18-13;1-14(2,3)11-7-10(13(17)16(5)6)8-12(9-11)15-4;1-13(2,3)10-6-9(12(16)15-5)7-11(8-10)14-4;1-12(2,3)14-11(15)9-6-5-7-10(8-9)13-4;1-12-9-5-8(11(14)13(2)3)6-10(7-9)15-4;1-12-10-5-3-4-9(8-10)11(15)13(2)6-7-14;1-8-5-9(11(14)13(3)4)7-10(6-8)12-2;1-12-9-5-7(4-8(11)6-9)10(14)13(2)3;1-11-8-4-7(10(13)12-2)5-9(6-8)14-3;1-11-10(13)8-5-4-6-9(7-8)12(2)3;1-11-8-4-6(9(13)12-2)3-7(10)5-8/h9-11,17H,7-8H2,1-6H3;4-6,9,13,15H,2-3,7-8,10H2,1H3,(H,16,17);7-9,15H,1-6H3;6-8,14H,1-5H3,(H,15,16);5-8,13H,1-4H3,(H,14,15);5-7,12H,1-4H3;3-5,8,12,14H,6-7H2,1-2H3;5-7,12H,1-4H3;4-6,12H,1-3H3;4-6,11H,1-3H3,(H,12,13);4-7H,1-3H3,(H,11,13);3-5,11H,1-2H3,(H,12,13).
What are the key properties of 3-tert-butyl-N,N-dimethyl-5-(methylamino)benzamide;N-tert-butyl-3-(methylamino)benzamide;3-tert-butyl-N-methyl-5-(methylamino)benzamide;3-tert-butyl-N-methyl-5-(methylamino)-N-propylbenzamide;3-chloro-N,N-dimethyl-5-(methylamino)benzamide;3-chloro-N-methyl-5-(methylamino)benzamide;3-(dimethylamino)-N-methylbenzamide;N-(2-hydroxyethyl)-N-methyl-3-(methylamino)benzamide;3-methoxy-N,N-dimethyl-5-(methylamino)benzamide;3-methoxy-N-methyl-5-(methylamino)benzamide;3-(methylamino)-N-(oxan-2-ylmethyl)benzamide;N,N,3-trimethyl-5-(methylamino)benzamide?
3-tert-butyl-N,N-dimethyl-5-(methylamino)benzamide;N-tert-butyl-3-(methylamino)benzamide;3-tert-butyl-N-methyl-5-(methylamino)benzamide;3-tert-butyl-N-methyl-5-(methylamino)-N-propylbenzamide;3-chloro-N,N-dimethyl-5-(methylamino)benzamide;3-chloro-N-methyl-5-(methylamino)benzamide;3-(dimethylamino)-N-methylbenzamide;N-(2-hydroxyethyl)-N-methyl-3-(methylamino)benzamide;3-methoxy-N,N-dimethyl-5-(methylamino)benzamide;3-methoxy-N-methyl-5-(methylamino)benzamide;3-(methylamino)-N-(oxan-2-ylmethyl)benzamide;N,N,3-trimethyl-5-(methylamino)benzamide has a molecular weight of 2564.26 g/mol, XLogP of 22.91, 32 rotatable bonds, 18 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-N,N-dimethyl-5-(methylamino)benzamide;N-tert-butyl-3-(methylamino)benzamide;3-tert-butyl-N-methyl-5-(methylamino)benzamide;3-tert-butyl-N-methyl-5-(methylamino)-N-propylbenzamide;3-chloro-N,N-dimethyl-5-(methylamino)benzamide;3-chloro-N-methyl-5-(methylamino)benzamide;3-(dimethylamino)-N-methylbenzamide;N-(2-hydroxyethyl)-N-methyl-3-(methylamino)benzamide;3-methoxy-N,N-dimethyl-5-(methylamino)benzamide;3-methoxy-N-methyl-5-(methylamino)benzamide;3-(methylamino)-N-(oxan-2-ylmethyl)benzamide;N,N,3-trimethyl-5-(methylamino)benzamide is sourced from PubChem (CID 158597450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).