4-(aminomethyl)-N-[1-(4-methoxyphenyl)pentyl]benzamide

C20H26N2O2 — CID 119318120

IUPAC4-(aminomethyl)-N-[1-(4-methoxyphenyl)pentyl]benzamide
SMILESCCCCC(NC(=O)c1ccc(CN)cc1)c1ccc(OC)cc1
InChIInChI=1S/C20H26N2O2/c1-3-4-5-19(16-10-12-18(24-2)13-11-16)22-20(23)17-8-6-15(14-21)7-9-17/h6-13,19H,3-5,14,21H2,1-2H3,(H,22,23)
InChIKeyVKOYFPGEWQANMD-UHFFFAOYSA-N
MW326.44 g/mol
LogP3.82
Rot. Bonds8

About 4-(aminomethyl)-N-[1-(4-methoxyphenyl)pentyl]benzamide

4-(aminomethyl)-N-[1-(4-methoxyphenyl)pentyl]benzamide (PubChem CID 119318120) has the molecular formula C20H26N2O2 and a molecular weight of 326.44 g/mol. Its IUPAC name is 4-(aminomethyl)-N-[1-(4-methoxyphenyl)pentyl]benzamide.

Molecular Properties

Compound Name4-(aminomethyl)-N-[1-(4-methoxyphenyl)pentyl]benzamide
PubChem CID119318120
Molecular FormulaC20H26N2O2
Molecular Weight326.44 g/mol
Exact Mass326.20
IUPAC Name4-(aminomethyl)-N-[1-(4-methoxyphenyl)pentyl]benzamide
SMILESCCCCC(NC(=O)c1ccc(CN)cc1)c1ccc(OC)cc1
InChIInChI=1S/C20H26N2O2/c1-3-4-5-19(16-10-12-18(24-2)13-11-16)22-20(23)17-8-6-15(14-21)7-9-17/h6-13,19H,3-5,14,21H2,1-2H3,(H,22,23)
InChIKeyVKOYFPGEWQANMD-UHFFFAOYSA-N
XLogP3.82
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-[1-(4-methoxyphenyl)pentyl]acetamide;hydrochloride
CID 119318115
4-methoxy-N-[1-(4-methoxyphenyl)propyl]benzamide
CID 43904504
4-(aminomethyl)-N-[1-(4-methoxyphenyl)-2-methylpropyl]benzamide;hydrochloride
CID 119273373
4-(aminomethyl)-N-heptan-2-ylbenzamide
CID 43575776
3-[(4-methoxybenzoyl)amino]-3-(4-methoxyphenyl)propanoate
CID 3455324
3-amino-N-[1-(4-methoxyphenyl)pentyl]cyclopentane-1-carboxamide
CID 119774262
N-[1-(4-methoxyphenyl)pentyl]-2-methyl-3-(methylamino)propanamide;hydrochloride
CID 119774273
ethyl (3S)-3-[(4-tert-butylbenzoyl)amino]-3-(4-methoxyphenyl)propanoate
CID 7044467
4-fluoro-N-[(1R)-1-phenylpentyl]benzamide
CID 2201408
1-(4-methoxyphenyl)heptylhydrazine
CID 105190916
4-ethyl-N-[(2R)-2-[(4-methoxybenzoyl)amino]-2-phenylethyl]benzamide
CID 54166199
3-[1-(4-methoxyphenyl)pentylcarbamoyl-methylamino]propanoic acid
CID 122000751

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-[1-(4-methoxyphenyl)pentyl]benzamide?
The IUPAC name of 4-(aminomethyl)-N-[1-(4-methoxyphenyl)pentyl]benzamide (CID 119318120) is 4-(aminomethyl)-N-[1-(4-methoxyphenyl)pentyl]benzamide.
What is the SMILES notation for 4-(aminomethyl)-N-[1-(4-methoxyphenyl)pentyl]benzamide?
The canonical SMILES for 4-(aminomethyl)-N-[1-(4-methoxyphenyl)pentyl]benzamide is CCCCC(NC(=O)c1ccc(CN)cc1)c1ccc(OC)cc1.
What is the InChIKey of 4-(aminomethyl)-N-[1-(4-methoxyphenyl)pentyl]benzamide?
The InChIKey is VKOYFPGEWQANMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O2/c1-3-4-5-19(16-10-12-18(24-2)13-11-16)22-20(23)17-8-6-15(14-21)7-9-17/h6-13,19H,3-5,14,21H2,1-2H3,(H,22,23).
What are the key properties of 4-(aminomethyl)-N-[1-(4-methoxyphenyl)pentyl]benzamide?
4-(aminomethyl)-N-[1-(4-methoxyphenyl)pentyl]benzamide has a molecular weight of 326.44 g/mol, XLogP of 3.82, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-[1-(4-methoxyphenyl)pentyl]benzamide is sourced from PubChem (CID 119318120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).