4-(aminomethyl)-N-[(3,4-dimethoxyphenyl)methyl]benzamide

C17H20N2O3 — CID 23087734

IUPAC4-(aminomethyl)-N-[(3,4-dimethoxyphenyl)methyl]benzamide
SMILESCOc1ccc(CNC(=O)c2ccc(CN)cc2)cc1OC
InChIInChI=1S/C17H20N2O3/c1-21-15-8-5-13(9-16(15)22-2)11-19-17(20)14-6-3-12(10-18)4-7-14/h3-9H,10-11,18H2,1-2H3,(H,19,20)
InChIKeyCTNDYEJZPICBHJ-UHFFFAOYSA-N
MW300.36 g/mol
LogP2.09
Rot. Bonds6

About 4-(aminomethyl)-N-[(3,4-dimethoxyphenyl)methyl]benzamide

4-(aminomethyl)-N-[(3,4-dimethoxyphenyl)methyl]benzamide (PubChem CID 23087734) has the molecular formula C17H20N2O3 and a molecular weight of 300.36 g/mol. Its IUPAC name is 4-(aminomethyl)-N-[(3,4-dimethoxyphenyl)methyl]benzamide.

Molecular Properties

Compound Name4-(aminomethyl)-N-[(3,4-dimethoxyphenyl)methyl]benzamide
PubChem CID23087734
Molecular FormulaC17H20N2O3
Molecular Weight300.36 g/mol
Exact Mass300.15
IUPAC Name4-(aminomethyl)-N-[(3,4-dimethoxyphenyl)methyl]benzamide
SMILESCOc1ccc(CNC(=O)c2ccc(CN)cc2)cc1OC
InChIInChI=1S/C17H20N2O3/c1-21-15-8-5-13(9-16(15)22-2)11-19-17(20)14-6-3-12(10-18)4-7-14/h3-9H,10-11,18H2,1-2H3,(H,19,20)
InChIKeyCTNDYEJZPICBHJ-UHFFFAOYSA-N
XLogP2.09
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(aminomethyl)-N-[(3,4-dimethoxyphenyl)methyl]benzamide
CID 82545918
N-[(3,4-dimethoxyphenyl)methyl]-4-sulfanylbenzamide
CID 107023018
4-tert-butyl-N-[(3,4-dimethoxyphenyl)methyl]benzamide
CID 8852512
4-(aminomethyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]benzamide;hydrochloride
CID 119263813
N-[[3-[[(3,4-dimethoxybenzoyl)amino]methyl]phenyl]methyl]-3,4-dimethoxybenzamide
CID 2841934
4-(2-amino-2-oxoethoxy)-N-[(3,4-dimethoxyphenyl)methyl]-3-methoxybenzamide
CID 9082611
N-[[4-(aminomethyl)phenyl]methyl]-3-fluoro-4-methoxybenzamide
CID 62920214
4-N-[(3,4-dimethoxyphenyl)methyl]-1-N-pentylbenzene-1,4-dicarboxamide
CID 109048248
N-[(3,4-dimethoxyphenyl)methyl]-3-hydroxybenzamide
CID 43397926
N-[(3,4-dimethoxyphenyl)methyl]-4-(phenoxymethyl)benzamide
CID 112789277
N-[(3,4-dimethoxyphenyl)methyl]-1-methylpyrrole-3-carboxamide
CID 110762676
N-[[4-[(3,4-dimethoxyphenyl)methylcarbamoyl]phenyl]methyl]thiophene-2-carboxamide
CID 55753151

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-[(3,4-dimethoxyphenyl)methyl]benzamide?
The IUPAC name of 4-(aminomethyl)-N-[(3,4-dimethoxyphenyl)methyl]benzamide (CID 23087734) is 4-(aminomethyl)-N-[(3,4-dimethoxyphenyl)methyl]benzamide.
What is the SMILES notation for 4-(aminomethyl)-N-[(3,4-dimethoxyphenyl)methyl]benzamide?
The canonical SMILES for 4-(aminomethyl)-N-[(3,4-dimethoxyphenyl)methyl]benzamide is COc1ccc(CNC(=O)c2ccc(CN)cc2)cc1OC.
What is the InChIKey of 4-(aminomethyl)-N-[(3,4-dimethoxyphenyl)methyl]benzamide?
The InChIKey is CTNDYEJZPICBHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O3/c1-21-15-8-5-13(9-16(15)22-2)11-19-17(20)14-6-3-12(10-18)4-7-14/h3-9H,10-11,18H2,1-2H3,(H,19,20).
What are the key properties of 4-(aminomethyl)-N-[(3,4-dimethoxyphenyl)methyl]benzamide?
4-(aminomethyl)-N-[(3,4-dimethoxyphenyl)methyl]benzamide has a molecular weight of 300.36 g/mol, XLogP of 2.09, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-[(3,4-dimethoxyphenyl)methyl]benzamide is sourced from PubChem (CID 23087734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).