N-[(4-anilinophenyl)methyl]prop-2-enamide

C16H16N2O — CID 57298841

IUPACN-[(4-anilinophenyl)methyl]prop-2-enamide
SMILESC=CC(=O)NCc1ccc(Nc2ccccc2)cc1
InChIInChI=1S/C16H16N2O/c1-2-16(19)17-12-13-8-10-15(11-9-13)18-14-6-4-3-5-7-14/h2-11,18H,1,12H2,(H,17,19)
InChIKeyANRNMRWABFEJIK-UHFFFAOYSA-N
MW252.32 g/mol
LogP3.23
Rot. Bonds5

About N-[(4-anilinophenyl)methyl]prop-2-enamide

N-[(4-anilinophenyl)methyl]prop-2-enamide (PubChem CID 57298841) has the molecular formula C16H16N2O and a molecular weight of 252.32 g/mol. Its IUPAC name is N-[(4-anilinophenyl)methyl]prop-2-enamide.

Molecular Properties

Compound NameN-[(4-anilinophenyl)methyl]prop-2-enamide
PubChem CID57298841
Molecular FormulaC16H16N2O
Molecular Weight252.32 g/mol
Exact Mass252.13
IUPAC NameN-[(4-anilinophenyl)methyl]prop-2-enamide
SMILESC=CC(=O)NCc1ccc(Nc2ccccc2)cc1
InChIInChI=1S/C16H16N2O/c1-2-16(19)17-12-13-8-10-15(11-9-13)18-14-6-4-3-5-7-14/h2-11,18H,1,12H2,(H,17,19)
InChIKeyANRNMRWABFEJIK-UHFFFAOYSA-N
XLogP3.23
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze N-[(4-anilinophenyl)methyl]prop-2-enamide 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-[(4-anilinophenyl)methyl]acetamide
CID 11853463
N-[[4-(methanesulfonamido)phenyl]methyl]prop-2-enamide
CID 57203958
methyl N-[4-[(prop-2-enoylamino)methyl]phenyl]carbamate
CID 115357516
N-phenylaniline;prop-2-enoic acid
CID 160759599
[3-[(prop-2-enoylamino)methyl]phenyl]carbamic acid
CID 138682583
1-(4-anilinophenyl)-3-benzylurea
CID 24664594
N-benzylprop-2-enamide;N-butylbutan-1-amine
CID 66969925
N-benzylprop-2-enamide;2,3-dimethylbut-2-enamide
CID 174986700
N-[[4-(dimethylamino)phenyl]methyl]prop-2-enamide
CID 61251310
2-(prop-2-enoylamino)ethyl N-benzylcarbamate
CID 166676407
N-[[4-[(4-methylphenyl)sulfamoyl]phenyl]methyl]prop-2-enamide
CID 57217486
3-[(prop-2-enoylamino)methyl]benzamide
CID 61250831

Frequently Asked Questions

What is the IUPAC name of N-[(4-anilinophenyl)methyl]prop-2-enamide?
The IUPAC name of N-[(4-anilinophenyl)methyl]prop-2-enamide (CID 57298841) is N-[(4-anilinophenyl)methyl]prop-2-enamide.
What is the SMILES notation for N-[(4-anilinophenyl)methyl]prop-2-enamide?
The canonical SMILES for N-[(4-anilinophenyl)methyl]prop-2-enamide is C=CC(=O)NCc1ccc(Nc2ccccc2)cc1.
What is the InChIKey of N-[(4-anilinophenyl)methyl]prop-2-enamide?
The InChIKey is ANRNMRWABFEJIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O/c1-2-16(19)17-12-13-8-10-15(11-9-13)18-14-6-4-3-5-7-14/h2-11,18H,1,12H2,(H,17,19).
What are the key properties of N-[(4-anilinophenyl)methyl]prop-2-enamide?
N-[(4-anilinophenyl)methyl]prop-2-enamide has a molecular weight of 252.32 g/mol, XLogP of 3.23, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-anilinophenyl)methyl]prop-2-enamide is sourced from PubChem (CID 57298841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).