3-tert-butyl-N,N-dimethyl-5-(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;N-(2-hydroxyethyl)-N,3-dimethyl-5-(methylamino)benzamide;3-methoxy-N,N-dimethyl-5-(methylamino)benzamide;3-methoxy-N-methyl-5-(methylamino)benzamide

C95H140Cl2N16O11 — CID 159689812

IUPAC3-tert-butyl-N,N-dimethyl-5-(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;N-(2-hydroxyethyl)-N,3-dimethyl-5-(methylamino)benzamide;3-methoxy-N,N-dimethyl-5-(methylamino)benzamide;3-methoxy-N-methyl-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.CNc1cc(C(=O)N(C)C)cc(C(C)(C)C)c1.CNc1cc(C)cc(C(=O)N(C)CCO)c1.CNc1cc(Cl)cc(C(=O)N(C)C)c1.CNc1cc(OC)cc(C(=O)N(C)C)c1
InChIInChI=1S/C16H26N2O.C14H22N2O.C13H20N2O.C12H18N2O2.C11H16N2O2.C10H13ClN2O.C10H14N2O2.C9H11ClN2O/c1-7-8-18(6)15(19)12-9-13(16(2,3)4)11-14(10-12)17-5;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;1-9-6-10(8-11(7-9)13-2)12(16)14(3)4-5-15;1-12-9-5-8(11(14)13(2)3)6-10(7-9)15-4;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;1-11-8-4-6(9(13)12-2)3-7(10)5-8/h9-11,17H,7-8H2,1-6H3;7-9,15H,1-6H3;6-8,14H,1-5H3,(H,15,16);6-8,13,15H,4-5H2,1-3H3;5-7,12H,1-4H3;4-6,12H,1-3H3;4-6,11H,1-3H3,(H,12,13);3-5,11H,1-2H3,(H,12,13)
InChIKeyMWGMESAYHUFQAC-UHFFFAOYSA-N
MW1753.17 g/mol
LogP16.08
Rot. Bonds22

About 3-tert-butyl-N,N-dimethyl-5-(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;N-(2-hydroxyethyl)-N,3-dimethyl-5-(methylamino)benzamide;3-methoxy-N,N-dimethyl-5-(methylamino)benzamide;3-methoxy-N-methyl-5-(methylamino)benzamide

3-tert-butyl-N,N-dimethyl-5-(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;N-(2-hydroxyethyl)-N,3-dimethyl-5-(methylamino)benzamide;3-methoxy-N,N-dimethyl-5-(methylamino)benzamide;3-methoxy-N-methyl-5-(methylamino)benzamide (PubChem CID 159689812) has the molecular formula C95H140Cl2N16O11 and a molecular weight of 1753.17 g/mol. Its IUPAC name is 3-tert-butyl-N,N-dimethyl-5-(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;N-(2-hydroxyethyl)-N,3-dimethyl-5-(methylamino)benzamide;3-methoxy-N,N-dimethyl-5-(methylamino)benzamide;3-methoxy-N-methyl-5-(methylamino)benzamide.

Molecular Properties

Compound Name3-tert-butyl-N,N-dimethyl-5-(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;N-(2-hydroxyethyl)-N,3-dimethyl-5-(methylamino)benzamide;3-methoxy-N,N-dimethyl-5-(methylamino)benzamide;3-methoxy-N-methyl-5-(methylamino)benzamide
PubChem CID159689812
Molecular FormulaC95H140Cl2N16O11
Molecular Weight1753.17 g/mol
Exact Mass1751.03
IUPAC Name3-tert-butyl-N,N-dimethyl-5-(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;N-(2-hydroxyethyl)-N,3-dimethyl-5-(methylamino)benzamide;3-methoxy-N,N-dimethyl-5-(methylamino)benzamide;3-methoxy-N-methyl-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.CNc1cc(C(=O)N(C)C)cc(C(C)(C)C)c1.CNc1cc(C)cc(C(=O)N(C)CCO)c1.CNc1cc(Cl)cc(C(=O)N(C)C)c1.CNc1cc(OC)cc(C(=O)N(C)C)c1
InChIInChI=1S/C16H26N2O.C14H22N2O.C13H20N2O.C12H18N2O2.C11H16N2O2.C10H13ClN2O.C10H14N2O2.C9H11ClN2O/c1-7-8-18(6)15(19)12-9-13(16(2,3)4)11-14(10-12)17-5;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;1-9-6-10(8-11(7-9)13-2)12(16)14(3)4-5-15;1-12-9-5-8(11(14)13(2)3)6-10(7-9)15-4;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;1-11-8-4-6(9(13)12-2)3-7(10)5-8/h9-11,17H,7-8H2,1-6H3;7-9,15H,1-6H3;6-8,14H,1-5H3,(H,15,16);6-8,13,15H,4-5H2,1-3H3;5-7,12H,1-4H3;4-6,12H,1-3H3;4-6,11H,1-3H3,(H,12,13);3-5,11H,1-2H3,(H,12,13)
InChIKeyMWGMESAYHUFQAC-UHFFFAOYSA-N
XLogP16.08
TPSA323.78 Ų
H-Bond Donors12
H-Bond Acceptors19
Rotatable Bonds22
Heavy Atoms124
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001753.17
LogP ≤ 516.08
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1019

Analyze 3-tert-butyl-N,N-dimethyl-5-(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;N-(2-hydroxyethyl)-N,3-dimethyl-5-(methylamino)benzamide;3-methoxy-N,N-dimethyl-5-(methylamino)benzamide;3-methoxy-N-methyl-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;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;N-(2-hydroxyethyl)-N,3-dimethyl-5-(methylamino)benzamide;3-methoxy-N,N-dimethyl-5-(methylamino)benzamide;3-methoxy-N-methyl-5-(methylamino)benzamide?
The IUPAC name of 3-tert-butyl-N,N-dimethyl-5-(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;N-(2-hydroxyethyl)-N,3-dimethyl-5-(methylamino)benzamide;3-methoxy-N,N-dimethyl-5-(methylamino)benzamide;3-methoxy-N-methyl-5-(methylamino)benzamide (CID 159689812) is 3-tert-butyl-N,N-dimethyl-5-(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;N-(2-hydroxyethyl)-N,3-dimethyl-5-(methylamino)benzamide;3-methoxy-N,N-dimethyl-5-(methylamino)benzamide;3-methoxy-N-methyl-5-(methylamino)benzamide.
What is the SMILES notation for 3-tert-butyl-N,N-dimethyl-5-(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;N-(2-hydroxyethyl)-N,3-dimethyl-5-(methylamino)benzamide;3-methoxy-N,N-dimethyl-5-(methylamino)benzamide;3-methoxy-N-methyl-5-(methylamino)benzamide?
The canonical SMILES for 3-tert-butyl-N,N-dimethyl-5-(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;N-(2-hydroxyethyl)-N,3-dimethyl-5-(methylamino)benzamide;3-methoxy-N,N-dimethyl-5-(methylamino)benzamide;3-methoxy-N-methyl-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.CNc1cc(C(=O)N(C)C)cc(C(C)(C)C)c1.CNc1cc(C)cc(C(=O)N(C)CCO)c1.CNc1cc(Cl)cc(C(=O)N(C)C)c1.CNc1cc(OC)cc(C(=O)N(C)C)c1.
What is the InChIKey of 3-tert-butyl-N,N-dimethyl-5-(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;N-(2-hydroxyethyl)-N,3-dimethyl-5-(methylamino)benzamide;3-methoxy-N,N-dimethyl-5-(methylamino)benzamide;3-methoxy-N-methyl-5-(methylamino)benzamide?
The InChIKey is MWGMESAYHUFQAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O.C14H22N2O.C13H20N2O.C12H18N2O2.C11H16N2O2.C10H13ClN2O.C10H14N2O2.C9H11ClN2O/c1-7-8-18(6)15(19)12-9-13(16(2,3)4)11-14(10-12)17-5;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;1-9-6-10(8-11(7-9)13-2)12(16)14(3)4-5-15;1-12-9-5-8(11(14)13(2)3)6-10(7-9)15-4;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;1-11-8-4-6(9(13)12-2)3-7(10)5-8/h9-11,17H,7-8H2,1-6H3;7-9,15H,1-6H3;6-8,14H,1-5H3,(H,15,16);6-8,13,15H,4-5H2,1-3H3;5-7,12H,1-4H3;4-6,12H,1-3H3;4-6,11H,1-3H3,(H,12,13);3-5,11H,1-2H3,(H,12,13).
What are the key properties of 3-tert-butyl-N,N-dimethyl-5-(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;N-(2-hydroxyethyl)-N,3-dimethyl-5-(methylamino)benzamide;3-methoxy-N,N-dimethyl-5-(methylamino)benzamide;3-methoxy-N-methyl-5-(methylamino)benzamide?
3-tert-butyl-N,N-dimethyl-5-(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;N-(2-hydroxyethyl)-N,3-dimethyl-5-(methylamino)benzamide;3-methoxy-N,N-dimethyl-5-(methylamino)benzamide;3-methoxy-N-methyl-5-(methylamino)benzamide has a molecular weight of 1753.17 g/mol, XLogP of 16.08, 22 rotatable bonds, 12 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-N,N-dimethyl-5-(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;N-(2-hydroxyethyl)-N,3-dimethyl-5-(methylamino)benzamide;3-methoxy-N,N-dimethyl-5-(methylamino)benzamide;3-methoxy-N-methyl-5-(methylamino)benzamide is sourced from PubChem (CID 159689812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).