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

C115H167ClF2N20O16 — CID 158630126

IUPAC3-tert-butyl-N,N-dimethyl-5-(methylamino)benzamide;3-tert-butyl-N-(2-hydroxyethyl)-N-methyl-5-(methylamino)benzamide;3-tert-butyl-N-methyl-5-(methylamino)benzamide;3-chloro-N-methyl-5-(methylamino)benzamide;3-fluoro-N,N-dimethyl-5-(methylamino)benzamide;3-fluoro-N-methyl-5-(methylamino)benzamide;N-(2-hydroxyethyl)-N,3-dimethyl-5-(methylamino)benzamide;N-(2-hydroxyethyl)-2-methoxy-N-methyl-5-(methylamino)benzamide;3-methoxy-N,N-dimethyl-5-(methylamino)benzamide;3-methoxy-N-methyl-5-(methylamino)benzamide
SMILESCNC(=O)c1cc(Cl)cc(NC)c1.CNC(=O)c1cc(F)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(=O)N(C)CCO)cc(C(C)(C)C)c1.CNc1cc(C)cc(C(=O)N(C)CCO)c1.CNc1cc(F)cc(C(=O)N(C)C)c1.CNc1cc(OC)cc(C(=O)N(C)C)c1.CNc1ccc(OC)c(C(=O)N(C)CCO)c1
InChIInChI=1S/C15H24N2O2.C14H22N2O.C13H20N2O.C12H18N2O3.C12H18N2O2.C11H16N2O2.C10H13FN2O.C10H14N2O2.C9H11ClN2O.C9H11FN2O/c1-15(2,3)12-8-11(9-13(10-12)16-4)14(19)17(5)6-7-18;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;1-13-9-4-5-11(17-3)10(8-9)12(16)14(2)6-7-15;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;2*1-11-8-4-6(9(13)12-2)3-7(10)5-8/h8-10,16,18H,6-7H2,1-5H3;7-9,15H,1-6H3;6-8,14H,1-5H3,(H,15,16);4-5,8,13,15H,6-7H2,1-3H3;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);2*3-5,11H,1-2H3,(H,12,13)
InChIKeyHZBXQTQPCCQCFS-UHFFFAOYSA-N
MW2159.17 g/mol
LogP16.18
Rot. Bonds29

About 3-tert-butyl-N,N-dimethyl-5-(methylamino)benzamide;3-tert-butyl-N-(2-hydroxyethyl)-N-methyl-5-(methylamino)benzamide;3-tert-butyl-N-methyl-5-(methylamino)benzamide;3-chloro-N-methyl-5-(methylamino)benzamide;3-fluoro-N,N-dimethyl-5-(methylamino)benzamide;3-fluoro-N-methyl-5-(methylamino)benzamide;N-(2-hydroxyethyl)-N,3-dimethyl-5-(methylamino)benzamide;N-(2-hydroxyethyl)-2-methoxy-N-methyl-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-(2-hydroxyethyl)-N-methyl-5-(methylamino)benzamide;3-tert-butyl-N-methyl-5-(methylamino)benzamide;3-chloro-N-methyl-5-(methylamino)benzamide;3-fluoro-N,N-dimethyl-5-(methylamino)benzamide;3-fluoro-N-methyl-5-(methylamino)benzamide;N-(2-hydroxyethyl)-N,3-dimethyl-5-(methylamino)benzamide;N-(2-hydroxyethyl)-2-methoxy-N-methyl-5-(methylamino)benzamide;3-methoxy-N,N-dimethyl-5-(methylamino)benzamide;3-methoxy-N-methyl-5-(methylamino)benzamide (PubChem CID 158630126) has the molecular formula C115H167ClF2N20O16 and a molecular weight of 2159.17 g/mol. Its IUPAC name is 3-tert-butyl-N,N-dimethyl-5-(methylamino)benzamide;3-tert-butyl-N-(2-hydroxyethyl)-N-methyl-5-(methylamino)benzamide;3-tert-butyl-N-methyl-5-(methylamino)benzamide;3-chloro-N-methyl-5-(methylamino)benzamide;3-fluoro-N,N-dimethyl-5-(methylamino)benzamide;3-fluoro-N-methyl-5-(methylamino)benzamide;N-(2-hydroxyethyl)-N,3-dimethyl-5-(methylamino)benzamide;N-(2-hydroxyethyl)-2-methoxy-N-methyl-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-(2-hydroxyethyl)-N-methyl-5-(methylamino)benzamide;3-tert-butyl-N-methyl-5-(methylamino)benzamide;3-chloro-N-methyl-5-(methylamino)benzamide;3-fluoro-N,N-dimethyl-5-(methylamino)benzamide;3-fluoro-N-methyl-5-(methylamino)benzamide;N-(2-hydroxyethyl)-N,3-dimethyl-5-(methylamino)benzamide;N-(2-hydroxyethyl)-2-methoxy-N-methyl-5-(methylamino)benzamide;3-methoxy-N,N-dimethyl-5-(methylamino)benzamide;3-methoxy-N-methyl-5-(methylamino)benzamide
PubChem CID158630126
Molecular FormulaC115H167ClF2N20O16
Molecular Weight2159.17 g/mol
Exact Mass2157.25
IUPAC Name3-tert-butyl-N,N-dimethyl-5-(methylamino)benzamide;3-tert-butyl-N-(2-hydroxyethyl)-N-methyl-5-(methylamino)benzamide;3-tert-butyl-N-methyl-5-(methylamino)benzamide;3-chloro-N-methyl-5-(methylamino)benzamide;3-fluoro-N,N-dimethyl-5-(methylamino)benzamide;3-fluoro-N-methyl-5-(methylamino)benzamide;N-(2-hydroxyethyl)-N,3-dimethyl-5-(methylamino)benzamide;N-(2-hydroxyethyl)-2-methoxy-N-methyl-5-(methylamino)benzamide;3-methoxy-N,N-dimethyl-5-(methylamino)benzamide;3-methoxy-N-methyl-5-(methylamino)benzamide
SMILESCNC(=O)c1cc(Cl)cc(NC)c1.CNC(=O)c1cc(F)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(=O)N(C)CCO)cc(C(C)(C)C)c1.CNc1cc(C)cc(C(=O)N(C)CCO)c1.CNc1cc(F)cc(C(=O)N(C)C)c1.CNc1cc(OC)cc(C(=O)N(C)C)c1.CNc1ccc(OC)c(C(=O)N(C)CCO)c1
InChIInChI=1S/C15H24N2O2.C14H22N2O.C13H20N2O.C12H18N2O3.C12H18N2O2.C11H16N2O2.C10H13FN2O.C10H14N2O2.C9H11ClN2O.C9H11FN2O/c1-15(2,3)12-8-11(9-13(10-12)16-4)14(19)17(5)6-7-18;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;1-13-9-4-5-11(17-3)10(8-9)12(16)14(2)6-7-15;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;2*1-11-8-4-6(9(13)12-2)3-7(10)5-8/h8-10,16,18H,6-7H2,1-5H3;7-9,15H,1-6H3;6-8,14H,1-5H3,(H,15,16);4-5,8,13,15H,6-7H2,1-3H3;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);2*3-5,11H,1-2H3,(H,12,13)
InChIKeyHZBXQTQPCCQCFS-UHFFFAOYSA-N
XLogP16.18
TPSA446.94 Ų
H-Bond Donors17
H-Bond Acceptors26
Rotatable Bonds29
Heavy Atoms154
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002159.17
LogP ≤ 516.18
H-Bond Donors ≤ 517
H-Bond Acceptors ≤ 1026

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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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-(2-hydroxyethyl)-N-methyl-5-(methylamino)benzamide;3-tert-butyl-N-methyl-5-(methylamino)benzamide;3-chloro-N-methyl-5-(methylamino)benzamide;3-fluoro-N,N-dimethyl-5-(methylamino)benzamide;3-fluoro-N-methyl-5-(methylamino)benzamide;N-(2-hydroxyethyl)-N,3-dimethyl-5-(methylamino)benzamide;N-(2-hydroxyethyl)-2-methoxy-N-methyl-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-(2-hydroxyethyl)-N-methyl-5-(methylamino)benzamide;3-tert-butyl-N-methyl-5-(methylamino)benzamide;3-chloro-N-methyl-5-(methylamino)benzamide;3-fluoro-N,N-dimethyl-5-(methylamino)benzamide;3-fluoro-N-methyl-5-(methylamino)benzamide;N-(2-hydroxyethyl)-N,3-dimethyl-5-(methylamino)benzamide;N-(2-hydroxyethyl)-2-methoxy-N-methyl-5-(methylamino)benzamide;3-methoxy-N,N-dimethyl-5-(methylamino)benzamide;3-methoxy-N-methyl-5-(methylamino)benzamide (CID 158630126) is 3-tert-butyl-N,N-dimethyl-5-(methylamino)benzamide;3-tert-butyl-N-(2-hydroxyethyl)-N-methyl-5-(methylamino)benzamide;3-tert-butyl-N-methyl-5-(methylamino)benzamide;3-chloro-N-methyl-5-(methylamino)benzamide;3-fluoro-N,N-dimethyl-5-(methylamino)benzamide;3-fluoro-N-methyl-5-(methylamino)benzamide;N-(2-hydroxyethyl)-N,3-dimethyl-5-(methylamino)benzamide;N-(2-hydroxyethyl)-2-methoxy-N-methyl-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-(2-hydroxyethyl)-N-methyl-5-(methylamino)benzamide;3-tert-butyl-N-methyl-5-(methylamino)benzamide;3-chloro-N-methyl-5-(methylamino)benzamide;3-fluoro-N,N-dimethyl-5-(methylamino)benzamide;3-fluoro-N-methyl-5-(methylamino)benzamide;N-(2-hydroxyethyl)-N,3-dimethyl-5-(methylamino)benzamide;N-(2-hydroxyethyl)-2-methoxy-N-methyl-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-(2-hydroxyethyl)-N-methyl-5-(methylamino)benzamide;3-tert-butyl-N-methyl-5-(methylamino)benzamide;3-chloro-N-methyl-5-(methylamino)benzamide;3-fluoro-N,N-dimethyl-5-(methylamino)benzamide;3-fluoro-N-methyl-5-(methylamino)benzamide;N-(2-hydroxyethyl)-N,3-dimethyl-5-(methylamino)benzamide;N-(2-hydroxyethyl)-2-methoxy-N-methyl-5-(methylamino)benzamide;3-methoxy-N,N-dimethyl-5-(methylamino)benzamide;3-methoxy-N-methyl-5-(methylamino)benzamide is CNC(=O)c1cc(Cl)cc(NC)c1.CNC(=O)c1cc(F)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(=O)N(C)CCO)cc(C(C)(C)C)c1.CNc1cc(C)cc(C(=O)N(C)CCO)c1.CNc1cc(F)cc(C(=O)N(C)C)c1.CNc1cc(OC)cc(C(=O)N(C)C)c1.CNc1ccc(OC)c(C(=O)N(C)CCO)c1.
What is the InChIKey of 3-tert-butyl-N,N-dimethyl-5-(methylamino)benzamide;3-tert-butyl-N-(2-hydroxyethyl)-N-methyl-5-(methylamino)benzamide;3-tert-butyl-N-methyl-5-(methylamino)benzamide;3-chloro-N-methyl-5-(methylamino)benzamide;3-fluoro-N,N-dimethyl-5-(methylamino)benzamide;3-fluoro-N-methyl-5-(methylamino)benzamide;N-(2-hydroxyethyl)-N,3-dimethyl-5-(methylamino)benzamide;N-(2-hydroxyethyl)-2-methoxy-N-methyl-5-(methylamino)benzamide;3-methoxy-N,N-dimethyl-5-(methylamino)benzamide;3-methoxy-N-methyl-5-(methylamino)benzamide?
The InChIKey is HZBXQTQPCCQCFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2.C14H22N2O.C13H20N2O.C12H18N2O3.C12H18N2O2.C11H16N2O2.C10H13FN2O.C10H14N2O2.C9H11ClN2O.C9H11FN2O/c1-15(2,3)12-8-11(9-13(10-12)16-4)14(19)17(5)6-7-18;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;1-13-9-4-5-11(17-3)10(8-9)12(16)14(2)6-7-15;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;2*1-11-8-4-6(9(13)12-2)3-7(10)5-8/h8-10,16,18H,6-7H2,1-5H3;7-9,15H,1-6H3;6-8,14H,1-5H3,(H,15,16);4-5,8,13,15H,6-7H2,1-3H3;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);2*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-(2-hydroxyethyl)-N-methyl-5-(methylamino)benzamide;3-tert-butyl-N-methyl-5-(methylamino)benzamide;3-chloro-N-methyl-5-(methylamino)benzamide;3-fluoro-N,N-dimethyl-5-(methylamino)benzamide;3-fluoro-N-methyl-5-(methylamino)benzamide;N-(2-hydroxyethyl)-N,3-dimethyl-5-(methylamino)benzamide;N-(2-hydroxyethyl)-2-methoxy-N-methyl-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-(2-hydroxyethyl)-N-methyl-5-(methylamino)benzamide;3-tert-butyl-N-methyl-5-(methylamino)benzamide;3-chloro-N-methyl-5-(methylamino)benzamide;3-fluoro-N,N-dimethyl-5-(methylamino)benzamide;3-fluoro-N-methyl-5-(methylamino)benzamide;N-(2-hydroxyethyl)-N,3-dimethyl-5-(methylamino)benzamide;N-(2-hydroxyethyl)-2-methoxy-N-methyl-5-(methylamino)benzamide;3-methoxy-N,N-dimethyl-5-(methylamino)benzamide;3-methoxy-N-methyl-5-(methylamino)benzamide has a molecular weight of 2159.17 g/mol, XLogP of 16.18, 29 rotatable bonds, 17 hydrogen bond donors, and 26 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-(2-hydroxyethyl)-N-methyl-5-(methylamino)benzamide;3-tert-butyl-N-methyl-5-(methylamino)benzamide;3-chloro-N-methyl-5-(methylamino)benzamide;3-fluoro-N,N-dimethyl-5-(methylamino)benzamide;3-fluoro-N-methyl-5-(methylamino)benzamide;N-(2-hydroxyethyl)-N,3-dimethyl-5-(methylamino)benzamide;N-(2-hydroxyethyl)-2-methoxy-N-methyl-5-(methylamino)benzamide;3-methoxy-N,N-dimethyl-5-(methylamino)benzamide;3-methoxy-N-methyl-5-(methylamino)benzamide is sourced from PubChem (CID 158630126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).