N-[(2-aminophenyl)methyl]-2-oxopropanamide

C10H12N2O2 — CID 110478407

IUPACN-[(2-aminophenyl)methyl]-2-oxopropanamide
SMILESCC(=O)C(=O)NCc1ccccc1N
InChIInChI=1S/C10H12N2O2/c1-7(13)10(14)12-6-8-4-2-3-5-9(8)11/h2-5H,6,11H2,1H3,(H,12,14)
InChIKeyVRCAZXRUHVADKP-UHFFFAOYSA-N
MW192.22 g/mol
LogP0.47
Rot. Bonds3

About N-[(2-aminophenyl)methyl]-2-oxopropanamide

N-[(2-aminophenyl)methyl]-2-oxopropanamide (PubChem CID 110478407) has the molecular formula C10H12N2O2 and a molecular weight of 192.22 g/mol. Its IUPAC name is N-[(2-aminophenyl)methyl]-2-oxopropanamide.

Molecular Properties

Compound NameN-[(2-aminophenyl)methyl]-2-oxopropanamide
PubChem CID110478407
Molecular FormulaC10H12N2O2
Molecular Weight192.22 g/mol
Exact Mass192.09
IUPAC NameN-[(2-aminophenyl)methyl]-2-oxopropanamide
SMILESCC(=O)C(=O)NCc1ccccc1N
InChIInChI=1S/C10H12N2O2/c1-7(13)10(14)12-6-8-4-2-3-5-9(8)11/h2-5H,6,11H2,1H3,(H,12,14)
InChIKeyVRCAZXRUHVADKP-UHFFFAOYSA-N
XLogP0.47
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.22
LogP ≤ 50.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[(2-aminophenyl)methyl]-2-oxopropanamide 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

N-[(2-bromophenyl)methyl]-2-oxopropanamide
CID 110478310
3-[(2-aminophenyl)methyl]-1,1-diethylurea
CID 79153335
N-[(2-aminophenyl)methyl]-2,2-dimethylbutanamide
CID 62679521
1-[(2-aminophenyl)methyl]-3-propan-2-ylurea
CID 4145188
2-(2-aminophenyl)-N-prop-2-ynylacetamide
CID 61118028
N-[(2-aminophenyl)methyl]-3-methylsulfanylpropanamide
CID 62057045
2-(2-aminophenyl)-N-methylacetamide
CID 16772909
methyl 2-[[2-(2-aminophenyl)acetyl]amino]acetate
CID 16773515
N-[2-[(2-aminophenyl)methylamino]ethyl]-2-methylpropanamide
CID 66387835
2-(2-aminophenyl)-N-(2-methylsulfinylpropyl)acetamide
CID 115976838
N-[(E)-3-[(2-aminophenyl)methylamino]-3-oxo-1-phenylprop-1-en-2-yl]benzamide
CID 124657330
N-[(2-aminophenyl)methyl]-2,6-difluoro-3-methylbenzamide
CID 82814854

Frequently Asked Questions

What is the IUPAC name of N-[(2-aminophenyl)methyl]-2-oxopropanamide?
The IUPAC name of N-[(2-aminophenyl)methyl]-2-oxopropanamide (CID 110478407) is N-[(2-aminophenyl)methyl]-2-oxopropanamide.
What is the SMILES notation for N-[(2-aminophenyl)methyl]-2-oxopropanamide?
The canonical SMILES for N-[(2-aminophenyl)methyl]-2-oxopropanamide is CC(=O)C(=O)NCc1ccccc1N.
What is the InChIKey of N-[(2-aminophenyl)methyl]-2-oxopropanamide?
The InChIKey is VRCAZXRUHVADKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O2/c1-7(13)10(14)12-6-8-4-2-3-5-9(8)11/h2-5H,6,11H2,1H3,(H,12,14).
What are the key properties of N-[(2-aminophenyl)methyl]-2-oxopropanamide?
N-[(2-aminophenyl)methyl]-2-oxopropanamide has a molecular weight of 192.22 g/mol, XLogP of 0.47, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-aminophenyl)methyl]-2-oxopropanamide is sourced from PubChem (CID 110478407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).