3-acetamido-5-(aminomethyl)-N-(4-methoxyphenyl)benzamide

C17H19N3O3 — CID 118759804

IUPAC3-acetamido-5-(aminomethyl)-N-(4-methoxyphenyl)benzamide
SMILESCOc1ccc(NC(=O)c2cc(CN)cc(NC(C)=O)c2)cc1
InChIInChI=1S/C17H19N3O3/c1-11(21)19-15-8-12(10-18)7-13(9-15)17(22)20-14-3-5-16(23-2)6-4-14/h3-9H,10,18H2,1-2H3,(H,19,21)(H,20,22)
InChIKeyRRXPQXTYOZIHDM-UHFFFAOYSA-N
MW313.36 g/mol
LogP2.36
Rot. Bonds5

About 3-acetamido-5-(aminomethyl)-N-(4-methoxyphenyl)benzamide

3-acetamido-5-(aminomethyl)-N-(4-methoxyphenyl)benzamide (PubChem CID 118759804) has the molecular formula C17H19N3O3 and a molecular weight of 313.36 g/mol. Its IUPAC name is 3-acetamido-5-(aminomethyl)-N-(4-methoxyphenyl)benzamide.

Molecular Properties

Compound Name3-acetamido-5-(aminomethyl)-N-(4-methoxyphenyl)benzamide
PubChem CID118759804
Molecular FormulaC17H19N3O3
Molecular Weight313.36 g/mol
Exact Mass313.14
IUPAC Name3-acetamido-5-(aminomethyl)-N-(4-methoxyphenyl)benzamide
SMILESCOc1ccc(NC(=O)c2cc(CN)cc(NC(C)=O)c2)cc1
InChIInChI=1S/C17H19N3O3/c1-11(21)19-15-8-12(10-18)7-13(9-15)17(22)20-14-3-5-16(23-2)6-4-14/h3-9H,10,18H2,1-2H3,(H,19,21)(H,20,22)
InChIKeyRRXPQXTYOZIHDM-UHFFFAOYSA-N
XLogP2.36
TPSA93.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.36
LogP ≤ 52.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-acetamido-5-[(2,2-dimethylpropylamino)methyl]-N-(4-methoxyphenyl)benzamide
CID 126465306
3-acetamido-5-[(cycloheptylamino)methyl]-N-(4-methoxyphenyl)benzamide
CID 42368292
methyl 3-(aminomethyl)-5-[(3-methoxybenzoyl)amino]benzoate
CID 118759148
N-[4-(4-acetamidoanilino)phenyl]-4-methoxybenzamide
CID 112988363
3,5-dibromo-N-(4-methoxyphenyl)benzamide
CID 114023535
3,5-diacetamido-N-(3-methoxyphenyl)benzamide
CID 18104274
4-hydrazinyl-N-(4-methoxyphenyl)benzamide
CID 62237684
N-(4-acetamidophenyl)-2-[(4-methoxyphenyl)methylamino]pyrimidine-5-carboxamide
CID 109258158
N-(4-methoxyphenyl)-4-(3-oxobutanoylamino)benzamide
CID 110178700
N-[4-(1-amino-2-methylpropan-2-yl)phenyl]-4-methoxybenzamide
CID 14698593
4-(aminomethyl)-N-(3-methoxyphenyl)benzamide
CID 16796099
N-[4-(aminomethyl)phenyl]-3,4-dimethoxybenzamide
CID 16793219

Frequently Asked Questions

What is the IUPAC name of 3-acetamido-5-(aminomethyl)-N-(4-methoxyphenyl)benzamide?
The IUPAC name of 3-acetamido-5-(aminomethyl)-N-(4-methoxyphenyl)benzamide (CID 118759804) is 3-acetamido-5-(aminomethyl)-N-(4-methoxyphenyl)benzamide.
What is the SMILES notation for 3-acetamido-5-(aminomethyl)-N-(4-methoxyphenyl)benzamide?
The canonical SMILES for 3-acetamido-5-(aminomethyl)-N-(4-methoxyphenyl)benzamide is COc1ccc(NC(=O)c2cc(CN)cc(NC(C)=O)c2)cc1.
What is the InChIKey of 3-acetamido-5-(aminomethyl)-N-(4-methoxyphenyl)benzamide?
The InChIKey is RRXPQXTYOZIHDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O3/c1-11(21)19-15-8-12(10-18)7-13(9-15)17(22)20-14-3-5-16(23-2)6-4-14/h3-9H,10,18H2,1-2H3,(H,19,21)(H,20,22).
What are the key properties of 3-acetamido-5-(aminomethyl)-N-(4-methoxyphenyl)benzamide?
3-acetamido-5-(aminomethyl)-N-(4-methoxyphenyl)benzamide has a molecular weight of 313.36 g/mol, XLogP of 2.36, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetamido-5-(aminomethyl)-N-(4-methoxyphenyl)benzamide is sourced from PubChem (CID 118759804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).