2-[2-(aminomethyl)phenyl]-N-(4-propylphenyl)acetamide

C18H22N2O — CID 81311722

IUPAC2-[2-(aminomethyl)phenyl]-N-(4-propylphenyl)acetamide
SMILESCCCc1ccc(NC(=O)Cc2ccccc2CN)cc1
InChIInChI=1S/C18H22N2O/c1-2-5-14-8-10-17(11-9-14)20-18(21)12-15-6-3-4-7-16(15)13-19/h3-4,6-11H,2,5,12-13,19H2,1H3,(H,20,21)
InChIKeyLZKYYRRSYKFDTO-UHFFFAOYSA-N
MW282.39 g/mol
LogP3.28
Rot. Bonds6

About 2-[2-(aminomethyl)phenyl]-N-(4-propylphenyl)acetamide

2-[2-(aminomethyl)phenyl]-N-(4-propylphenyl)acetamide (PubChem CID 81311722) has the molecular formula C18H22N2O and a molecular weight of 282.39 g/mol. Its IUPAC name is 2-[2-(aminomethyl)phenyl]-N-(4-propylphenyl)acetamide.

Molecular Properties

Compound Name2-[2-(aminomethyl)phenyl]-N-(4-propylphenyl)acetamide
PubChem CID81311722
Molecular FormulaC18H22N2O
Molecular Weight282.39 g/mol
Exact Mass282.17
IUPAC Name2-[2-(aminomethyl)phenyl]-N-(4-propylphenyl)acetamide
SMILESCCCc1ccc(NC(=O)Cc2ccccc2CN)cc1
InChIInChI=1S/C18H22N2O/c1-2-5-14-8-10-17(11-9-14)20-18(21)12-15-6-3-4-7-16(15)13-19/h3-4,6-11H,2,5,12-13,19H2,1H3,(H,20,21)
InChIKeyLZKYYRRSYKFDTO-UHFFFAOYSA-N
XLogP3.28
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-[2-(aminomethyl)phenyl]-N-(4-propylphenyl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-phenyl-N-(4-propylphenyl)acetamide
CID 126501660
2-amino-N-(4-propylphenyl)acetamide
CID 43216495
2-[2-(aminomethyl)phenyl]-N-(4-ethoxyphenyl)acetamide
CID 81312144
N-(4-butylphenyl)-2-(2-fluorophenyl)acetamide
CID 100635724
2-[2-(aminomethyl)phenyl]-N-(4-nitrophenyl)acetamide
CID 81311332
N-(4-butylphenyl)-2-naphthalen-1-ylacetamide
CID 7314094
N-phenyl-2-(4-propylanilino)acetamide
CID 43215416
2-methyl-N-(4-propylphenyl)propanamide
CID 58658667
2-[2-(aminomethyl)phenyl]-N-(3-hydroxy-4-methylphenyl)acetamide
CID 107701531
N-(4-butylphenyl)-2-(2-methoxyphenyl)acetamide
CID 3375192
4-amino-3,3-dimethyl-N-(4-propylphenyl)butanamide
CID 115157180
N-(3-acetylphenyl)-2-[2-(aminomethyl)phenyl]acetamide
CID 81313310

Frequently Asked Questions

What is the IUPAC name of 2-[2-(aminomethyl)phenyl]-N-(4-propylphenyl)acetamide?
The IUPAC name of 2-[2-(aminomethyl)phenyl]-N-(4-propylphenyl)acetamide (CID 81311722) is 2-[2-(aminomethyl)phenyl]-N-(4-propylphenyl)acetamide.
What is the SMILES notation for 2-[2-(aminomethyl)phenyl]-N-(4-propylphenyl)acetamide?
The canonical SMILES for 2-[2-(aminomethyl)phenyl]-N-(4-propylphenyl)acetamide is CCCc1ccc(NC(=O)Cc2ccccc2CN)cc1.
What is the InChIKey of 2-[2-(aminomethyl)phenyl]-N-(4-propylphenyl)acetamide?
The InChIKey is LZKYYRRSYKFDTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O/c1-2-5-14-8-10-17(11-9-14)20-18(21)12-15-6-3-4-7-16(15)13-19/h3-4,6-11H,2,5,12-13,19H2,1H3,(H,20,21).
What are the key properties of 2-[2-(aminomethyl)phenyl]-N-(4-propylphenyl)acetamide?
2-[2-(aminomethyl)phenyl]-N-(4-propylphenyl)acetamide has a molecular weight of 282.39 g/mol, XLogP of 3.28, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(aminomethyl)phenyl]-N-(4-propylphenyl)acetamide is sourced from PubChem (CID 81311722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).