2-(4-aminophenyl)-N-[3-(hydroxymethyl)phenyl]-2-methylpropanamide

C17H20N2O2 — CID 80555200

IUPAC2-(4-aminophenyl)-N-[3-(hydroxymethyl)phenyl]-2-methylpropanamide
SMILESCC(C)(C(=O)Nc1cccc(CO)c1)c1ccc(N)cc1
InChIInChI=1S/C17H20N2O2/c1-17(2,13-6-8-14(18)9-7-13)16(21)19-15-5-3-4-12(10-15)11-20/h3-10,20H,11,18H2,1-2H3,(H,19,21)
InChIKeySOCMHBLWSGDMFW-UHFFFAOYSA-N
MW284.36 g/mol
LogP2.68
Rot. Bonds4

About 2-(4-aminophenyl)-N-[3-(hydroxymethyl)phenyl]-2-methylpropanamide

2-(4-aminophenyl)-N-[3-(hydroxymethyl)phenyl]-2-methylpropanamide (PubChem CID 80555200) has the molecular formula C17H20N2O2 and a molecular weight of 284.36 g/mol. Its IUPAC name is 2-(4-aminophenyl)-N-[3-(hydroxymethyl)phenyl]-2-methylpropanamide.

Molecular Properties

Compound Name2-(4-aminophenyl)-N-[3-(hydroxymethyl)phenyl]-2-methylpropanamide
PubChem CID80555200
Molecular FormulaC17H20N2O2
Molecular Weight284.36 g/mol
Exact Mass284.15
IUPAC Name2-(4-aminophenyl)-N-[3-(hydroxymethyl)phenyl]-2-methylpropanamide
SMILESCC(C)(C(=O)Nc1cccc(CO)c1)c1ccc(N)cc1
InChIInChI=1S/C17H20N2O2/c1-17(2,13-6-8-14(18)9-7-13)16(21)19-15-5-3-4-12(10-15)11-20/h3-10,20H,11,18H2,1-2H3,(H,19,21)
InChIKeySOCMHBLWSGDMFW-UHFFFAOYSA-N
XLogP2.68
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 52.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 2-(4-aminophenyl)-N-[3-(hydroxymethyl)phenyl]-2-methylpropanamide 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-bromo-N-[3-(hydroxymethyl)phenyl]-2-methylpropanamide
CID 82110089
1-(4-aminophenyl)-3-[3-(hydroxymethyl)phenyl]urea
CID 57445000
2-(aminomethyl)-2-ethyl-N-[3-(hydroxymethyl)phenyl]butanamide
CID 115431812
2-(4-aminophenyl)-N-(3-fluoro-4-methylphenyl)-2-methylpropanamide
CID 80549578
2,2-bis(4-aminophenyl)-2-hydroxy-N-phenylacetamide
CID 139899649
N-[3-(hydroxymethyl)phenyl]propanamide
CID 12959862
2-(4-aminophenyl)-N-(3-chloro-4-methoxyphenyl)-2-methylpropanamide
CID 110451563
2-methyl-2-phenyl-N-(3-propan-2-ylphenyl)propanamide
CID 13309478
3-(tert-butylamino)-N-[3-(hydroxymethyl)phenyl]propanamide
CID 54927415
N-(3-acetamidophenyl)-2-(4-methoxyphenyl)-2-methylpropanamide
CID 110438763
2-(4-aminophenyl)-N-(1H-indazol-5-yl)-2-methylpropanamide
CID 82546658
2-(4-aminophenyl)-N-(1,3-dihydroxypropan-2-yl)-2-methylpropanamide
CID 80556063

Frequently Asked Questions

What is the IUPAC name of 2-(4-aminophenyl)-N-[3-(hydroxymethyl)phenyl]-2-methylpropanamide?
The IUPAC name of 2-(4-aminophenyl)-N-[3-(hydroxymethyl)phenyl]-2-methylpropanamide (CID 80555200) is 2-(4-aminophenyl)-N-[3-(hydroxymethyl)phenyl]-2-methylpropanamide.
What is the SMILES notation for 2-(4-aminophenyl)-N-[3-(hydroxymethyl)phenyl]-2-methylpropanamide?
The canonical SMILES for 2-(4-aminophenyl)-N-[3-(hydroxymethyl)phenyl]-2-methylpropanamide is CC(C)(C(=O)Nc1cccc(CO)c1)c1ccc(N)cc1.
What is the InChIKey of 2-(4-aminophenyl)-N-[3-(hydroxymethyl)phenyl]-2-methylpropanamide?
The InChIKey is SOCMHBLWSGDMFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O2/c1-17(2,13-6-8-14(18)9-7-13)16(21)19-15-5-3-4-12(10-15)11-20/h3-10,20H,11,18H2,1-2H3,(H,19,21).
What are the key properties of 2-(4-aminophenyl)-N-[3-(hydroxymethyl)phenyl]-2-methylpropanamide?
2-(4-aminophenyl)-N-[3-(hydroxymethyl)phenyl]-2-methylpropanamide has a molecular weight of 284.36 g/mol, XLogP of 2.68, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminophenyl)-N-[3-(hydroxymethyl)phenyl]-2-methylpropanamide is sourced from PubChem (CID 80555200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).