2-[[2-[(4-methoxyphenyl)methyl-methylamino]acetyl]amino]benzamide

C18H21N3O3 — CID 18135121

IUPAC2-[[2-[(4-methoxyphenyl)methyl-methylamino]acetyl]amino]benzamide
SMILESCOc1ccc(CN(C)CC(=O)Nc2ccccc2C(N)=O)cc1
InChIInChI=1S/C18H21N3O3/c1-21(11-13-7-9-14(24-2)10-8-13)12-17(22)20-16-6-4-3-5-15(16)18(19)23/h3-10H,11-12H2,1-2H3,(H2,19,23)(H,20,22)
InChIKeyZRPRWFWJSSYVFD-UHFFFAOYSA-N
MW327.38 g/mol
LogP1.86
Rot. Bonds7

About 2-[[2-[(4-methoxyphenyl)methyl-methylamino]acetyl]amino]benzamide

2-[[2-[(4-methoxyphenyl)methyl-methylamino]acetyl]amino]benzamide (PubChem CID 18135121) has the molecular formula C18H21N3O3 and a molecular weight of 327.38 g/mol. Its IUPAC name is 2-[[2-[(4-methoxyphenyl)methyl-methylamino]acetyl]amino]benzamide.

Molecular Properties

Compound Name2-[[2-[(4-methoxyphenyl)methyl-methylamino]acetyl]amino]benzamide
PubChem CID18135121
Molecular FormulaC18H21N3O3
Molecular Weight327.38 g/mol
Exact Mass327.16
IUPAC Name2-[[2-[(4-methoxyphenyl)methyl-methylamino]acetyl]amino]benzamide
SMILESCOc1ccc(CN(C)CC(=O)Nc2ccccc2C(N)=O)cc1
InChIInChI=1S/C18H21N3O3/c1-21(11-13-7-9-14(24-2)10-8-13)12-17(22)20-16-6-4-3-5-15(16)18(19)23/h3-10H,11-12H2,1-2H3,(H2,19,23)(H,20,22)
InChIKeyZRPRWFWJSSYVFD-UHFFFAOYSA-N
XLogP1.86
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-chlorophenyl)-2-[(4-methoxyphenyl)methyl-methylamino]acetamide
CID 8761356
2-[(4-methoxyphenyl)methyl-methylamino]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 4883947
methyl 2-[[2-[(4-bromophenyl)methyl-methylamino]acetyl]amino]benzoate
CID 9040291
methyl 2-[[2-[(4-chlorophenyl)methyl-methylamino]acetyl]amino]benzoate
CID 40710844
N-(2-fluorophenyl)-2-[(6-methoxynaphthalen-2-yl)methyl-methylamino]acetamide
CID 9054040
2-[[2-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]acetyl]amino]-N-(4-methoxyphenyl)benzamide
CID 17426103
N-(2,5-difluorophenyl)-2-[(4-methoxyphenyl)methyl-methylamino]acetamide
CID 8778357
2-[[2-[[2-(4-methoxyanilino)-2-oxoethyl]-methylamino]acetyl]amino]-N-phenylbenzamide
CID 2658446
2-[[2-[(3,4-dimethoxyphenyl)methyl-methylamino]acetyl]amino]-N-phenylbenzamide
CID 2657576
2-[(6-methoxynaphthalen-2-yl)methyl-methylamino]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 8924997
2-[[2-[[2-(2-ethylanilino)-2-oxoethyl]-methylamino]acetyl]amino]benzamide
CID 18135262
2-[[2-[(3-methoxyphenyl)methyl-methylamino]acetyl]amino]thiophene-3-carboxamide
CID 8794919

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[(4-methoxyphenyl)methyl-methylamino]acetyl]amino]benzamide?
The IUPAC name of 2-[[2-[(4-methoxyphenyl)methyl-methylamino]acetyl]amino]benzamide (CID 18135121) is 2-[[2-[(4-methoxyphenyl)methyl-methylamino]acetyl]amino]benzamide.
What is the SMILES notation for 2-[[2-[(4-methoxyphenyl)methyl-methylamino]acetyl]amino]benzamide?
The canonical SMILES for 2-[[2-[(4-methoxyphenyl)methyl-methylamino]acetyl]amino]benzamide is COc1ccc(CN(C)CC(=O)Nc2ccccc2C(N)=O)cc1.
What is the InChIKey of 2-[[2-[(4-methoxyphenyl)methyl-methylamino]acetyl]amino]benzamide?
The InChIKey is ZRPRWFWJSSYVFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O3/c1-21(11-13-7-9-14(24-2)10-8-13)12-17(22)20-16-6-4-3-5-15(16)18(19)23/h3-10H,11-12H2,1-2H3,(H2,19,23)(H,20,22).
What are the key properties of 2-[[2-[(4-methoxyphenyl)methyl-methylamino]acetyl]amino]benzamide?
2-[[2-[(4-methoxyphenyl)methyl-methylamino]acetyl]amino]benzamide has a molecular weight of 327.38 g/mol, XLogP of 1.86, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[(4-methoxyphenyl)methyl-methylamino]acetyl]amino]benzamide is sourced from PubChem (CID 18135121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).