(E)-3-(4-aminophenyl)-N-(2-phenylcyclopropyl)prop-2-enamide

C18H18N2O — CID 115343841

IUPAC(E)-3-(4-aminophenyl)-N-(2-phenylcyclopropyl)prop-2-enamide
SMILESNc1ccc(/C=C/C(=O)NC2CC2c2ccccc2)cc1
InChIInChI=1S/C18H18N2O/c19-15-9-6-13(7-10-15)8-11-18(21)20-17-12-16(17)14-4-2-1-3-5-14/h1-11,16-17H,12,19H2,(H,20,21)/b11-8+
InChIKeyKXOIRBQCRFLMJL-DHZHZOJOSA-N
MW278.36 g/mol
LogP2.95
Rot. Bonds4

About (E)-3-(4-aminophenyl)-N-(2-phenylcyclopropyl)prop-2-enamide

(E)-3-(4-aminophenyl)-N-(2-phenylcyclopropyl)prop-2-enamide (PubChem CID 115343841) has the molecular formula C18H18N2O and a molecular weight of 278.36 g/mol. Its IUPAC name is (E)-3-(4-aminophenyl)-N-(2-phenylcyclopropyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(4-aminophenyl)-N-(2-phenylcyclopropyl)prop-2-enamide
PubChem CID115343841
Molecular FormulaC18H18N2O
Molecular Weight278.36 g/mol
Exact Mass278.14
IUPAC Name(E)-3-(4-aminophenyl)-N-(2-phenylcyclopropyl)prop-2-enamide
SMILESNc1ccc(/C=C/C(=O)NC2CC2c2ccccc2)cc1
InChIInChI=1S/C18H18N2O/c19-15-9-6-13(7-10-15)8-11-18(21)20-17-12-16(17)14-4-2-1-3-5-14/h1-11,16-17H,12,19H2,(H,20,21)/b11-8+
InChIKeyKXOIRBQCRFLMJL-DHZHZOJOSA-N
XLogP2.95
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (E)-3-(4-aminophenyl)-N-(2-phenylcyclopropyl)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)-3-(4-aminophenyl)-N-(2,4-dimethylcyclohexyl)prop-2-enamide
CID 115344222
(E)-3-phenyl-N-[(1S,2S)-2-[[(E)-3-phenylprop-2-enoyl]amino]cyclohexyl]prop-2-enamide
CID 1334632
4-[(E)-3-oxo-3-[(3-phenylcyclobutyl)amino]prop-1-enyl]benzamide
CID 75423907
4-[3-oxo-3-[(3-phenylcyclobutyl)amino]prop-1-enyl]benzamide
CID 91943068
N-[(1R,2R)-2-phenylcyclopropyl]acetamide
CID 6954168
(E)-3-(4-aminophenyl)prop-2-enehydrazide
CID 79006134
(E)-N-(2-hydroxycyclohexyl)-3-phenylprop-2-enamide
CID 14965451
cis-(1S,2R)-2-phenyl-N'-[(E)-3-phenylprop-2-enoyl]cyclopropane-1-carbohydrazide
CID 40530433
2-amino-N-(2-phenylcyclopropyl)cyclopropane-1-carboxamide
CID 114995959
(E)-N-hydroxy-3-[3-[[(1R,2S)-2-phenylcyclopropyl]sulfamoyl]phenyl]prop-2-enamide
CID 172652640
(E)-3-(4-aminophenyl)-N-(1-methylpyrrolidin-3-yl)prop-2-enamide
CID 115343735
2-(3-aminophenyl)-N-(2-phenylcyclopropyl)acetamide
CID 62498054

Frequently Asked Questions

What is the IUPAC name of (E)-3-(4-aminophenyl)-N-(2-phenylcyclopropyl)prop-2-enamide?
The IUPAC name of (E)-3-(4-aminophenyl)-N-(2-phenylcyclopropyl)prop-2-enamide (CID 115343841) is (E)-3-(4-aminophenyl)-N-(2-phenylcyclopropyl)prop-2-enamide.
What is the SMILES notation for (E)-3-(4-aminophenyl)-N-(2-phenylcyclopropyl)prop-2-enamide?
The canonical SMILES for (E)-3-(4-aminophenyl)-N-(2-phenylcyclopropyl)prop-2-enamide is Nc1ccc(/C=C/C(=O)NC2CC2c2ccccc2)cc1.
What is the InChIKey of (E)-3-(4-aminophenyl)-N-(2-phenylcyclopropyl)prop-2-enamide?
The InChIKey is KXOIRBQCRFLMJL-DHZHZOJOSA-N. The full InChI is InChI=1S/C18H18N2O/c19-15-9-6-13(7-10-15)8-11-18(21)20-17-12-16(17)14-4-2-1-3-5-14/h1-11,16-17H,12,19H2,(H,20,21)/b11-8+.
What are the key properties of (E)-3-(4-aminophenyl)-N-(2-phenylcyclopropyl)prop-2-enamide?
(E)-3-(4-aminophenyl)-N-(2-phenylcyclopropyl)prop-2-enamide has a molecular weight of 278.36 g/mol, XLogP of 2.95, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(4-aminophenyl)-N-(2-phenylcyclopropyl)prop-2-enamide is sourced from PubChem (CID 115343841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).