(E)-N-(2-aminophenyl)-3-[3-(anilinomethyl)phenyl]prop-2-enamide

C22H21N3O — CID 139368358

IUPAC(E)-N-(2-aminophenyl)-3-[3-(anilinomethyl)phenyl]prop-2-enamide
SMILESNc1ccccc1NC(=O)/C=C/c1cccc(CNc2ccccc2)c1
InChIInChI=1S/C22H21N3O/c23-20-11-4-5-12-21(20)25-22(26)14-13-17-7-6-8-18(15-17)16-24-19-9-2-1-3-10-19/h1-15,24H,16,23H2,(H,25,26)/b14-13+
InChIKeyMPVOOKQJDKBMDN-BUHFOSPRSA-N
MW343.43 g/mol
LogP4.53
Rot. Bonds6

About (E)-N-(2-aminophenyl)-3-[3-(anilinomethyl)phenyl]prop-2-enamide

(E)-N-(2-aminophenyl)-3-[3-(anilinomethyl)phenyl]prop-2-enamide (PubChem CID 139368358) has the molecular formula C22H21N3O and a molecular weight of 343.43 g/mol. Its IUPAC name is (E)-N-(2-aminophenyl)-3-[3-(anilinomethyl)phenyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-N-(2-aminophenyl)-3-[3-(anilinomethyl)phenyl]prop-2-enamide
PubChem CID139368358
Molecular FormulaC22H21N3O
Molecular Weight343.43 g/mol
Exact Mass343.17
IUPAC Name(E)-N-(2-aminophenyl)-3-[3-(anilinomethyl)phenyl]prop-2-enamide
SMILESNc1ccccc1NC(=O)/C=C/c1cccc(CNc2ccccc2)c1
InChIInChI=1S/C22H21N3O/c23-20-11-4-5-12-21(20)25-22(26)14-13-17-7-6-8-18(15-17)16-24-19-9-2-1-3-10-19/h1-15,24H,16,23H2,(H,25,26)/b14-13+
InChIKeyMPVOOKQJDKBMDN-BUHFOSPRSA-N
XLogP4.53
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 54.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (E)-N-(2-aminophenyl)-3-[3-(anilinomethyl)phenyl]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

(E)-N-(2-aminophenyl)-3-[3-[(3-propan-2-yloxyanilino)methyl]phenyl]prop-2-enamide
CID 139377799
(E)-N-(2-aminophenyl)-3-[3-[(quinolin-6-ylamino)methyl]phenyl]prop-2-enamide
CID 139368383
N-(2-aminophenyl)-3-[4-[(3-chloroanilino)methyl]phenyl]prop-2-enamide
CID 66893901
N-(2-aminophenyl)-3-[4-[(4-bromoanilino)methyl]phenyl]prop-2-enamide
CID 66893975
(E)-N-(2-aminophenyl)-3-[4-[(3-sulfamoylanilino)methyl]phenyl]prop-2-enamide
CID 20786001
(E)-N-(2-aminophenyl)-3-[4-[[3-(2-hydroxyethoxy)anilino]methyl]phenyl]prop-2-enamide
CID 20785981
(E)-N-(2-aminophenyl)-3-[4-[(naphthalen-1-ylamino)methyl]phenyl]prop-2-enamide
CID 20785972
(E)-N-(2-aminophenyl)-3-(3-methoxyphenyl)prop-2-enamide
CID 28867841
N-[3-[(E)-3-(2-aminoanilino)-3-oxoprop-1-enyl]phenyl]-4-methylbenzamide
CID 45255726
N-[4-[3-[(E)-3-(2-aminoanilino)-3-oxoprop-1-enyl]phenyl]phenyl]benzamide
CID 73388672
(Z)-N-(2-aminophenyl)-3-[4-[(2-methoxyanilino)methyl]phenyl]prop-2-enamide
CID 66893904
(Z)-N-(2-aminophenyl)-3-[3-amino-4-[(3,4,5-trimethoxyanilino)methyl]phenyl]prop-2-enamide
CID 66893238

Frequently Asked Questions

What is the IUPAC name of (E)-N-(2-aminophenyl)-3-[3-(anilinomethyl)phenyl]prop-2-enamide?
The IUPAC name of (E)-N-(2-aminophenyl)-3-[3-(anilinomethyl)phenyl]prop-2-enamide (CID 139368358) is (E)-N-(2-aminophenyl)-3-[3-(anilinomethyl)phenyl]prop-2-enamide.
What is the SMILES notation for (E)-N-(2-aminophenyl)-3-[3-(anilinomethyl)phenyl]prop-2-enamide?
The canonical SMILES for (E)-N-(2-aminophenyl)-3-[3-(anilinomethyl)phenyl]prop-2-enamide is Nc1ccccc1NC(=O)/C=C/c1cccc(CNc2ccccc2)c1.
What is the InChIKey of (E)-N-(2-aminophenyl)-3-[3-(anilinomethyl)phenyl]prop-2-enamide?
The InChIKey is MPVOOKQJDKBMDN-BUHFOSPRSA-N. The full InChI is InChI=1S/C22H21N3O/c23-20-11-4-5-12-21(20)25-22(26)14-13-17-7-6-8-18(15-17)16-24-19-9-2-1-3-10-19/h1-15,24H,16,23H2,(H,25,26)/b14-13+.
What are the key properties of (E)-N-(2-aminophenyl)-3-[3-(anilinomethyl)phenyl]prop-2-enamide?
(E)-N-(2-aminophenyl)-3-[3-(anilinomethyl)phenyl]prop-2-enamide has a molecular weight of 343.43 g/mol, XLogP of 4.53, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(2-aminophenyl)-3-[3-(anilinomethyl)phenyl]prop-2-enamide is sourced from PubChem (CID 139368358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).