(E)-3-(4-methoxyphenyl)-N-[(1-phenylcyclopentyl)methyl]prop-2-enamide

C22H25NO2 — CID 5399176

IUPAC(E)-3-(4-methoxyphenyl)-N-[(1-phenylcyclopentyl)methyl]prop-2-enamide
SMILESCOc1ccc(/C=C/C(=O)NCC2(c3ccccc3)CCCC2)cc1
InChIInChI=1S/C22H25NO2/c1-25-20-12-9-18(10-13-20)11-14-21(24)23-17-22(15-5-6-16-22)19-7-3-2-4-8-19/h2-4,7-14H,5-6,15-17H2,1H3,(H,23,24)/b14-11+
InChIKeyFDQKQZXEGPCBBA-SDNWHVSQSA-N
MW335.45 g/mol
LogP4.34
Rot. Bonds6

About (E)-3-(4-methoxyphenyl)-N-[(1-phenylcyclopentyl)methyl]prop-2-enamide

(E)-3-(4-methoxyphenyl)-N-[(1-phenylcyclopentyl)methyl]prop-2-enamide (PubChem CID 5399176) has the molecular formula C22H25NO2 and a molecular weight of 335.45 g/mol. Its IUPAC name is (E)-3-(4-methoxyphenyl)-N-[(1-phenylcyclopentyl)methyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(4-methoxyphenyl)-N-[(1-phenylcyclopentyl)methyl]prop-2-enamide
PubChem CID5399176
Molecular FormulaC22H25NO2
Molecular Weight335.45 g/mol
Exact Mass335.19
IUPAC Name(E)-3-(4-methoxyphenyl)-N-[(1-phenylcyclopentyl)methyl]prop-2-enamide
SMILESCOc1ccc(/C=C/C(=O)NCC2(c3ccccc3)CCCC2)cc1
InChIInChI=1S/C22H25NO2/c1-25-20-12-9-18(10-13-20)11-14-21(24)23-17-22(15-5-6-16-22)19-7-3-2-4-8-19/h2-4,7-14H,5-6,15-17H2,1H3,(H,23,24)/b14-11+
InChIKeyFDQKQZXEGPCBBA-SDNWHVSQSA-N
XLogP4.34
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.45
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (E)-3-(4-methoxyphenyl)-N-[(1-phenylcyclopentyl)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

(E)-3-[4-(dimethylamino)phenyl]-N-[[1-(4-methoxyphenyl)cyclopropyl]methyl]prop-2-enamide
CID 110440822
(E)-3-(4-ethoxyphenyl)-N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]prop-2-enamide
CID 94650415
N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]-3-(4-propan-2-yloxyphenyl)prop-2-enamide
CID 71964859
(E)-3-(4-methoxyphenyl)-N-(1-phenylcyclobutyl)prop-2-enamide
CID 25470093
(E)-3-(3-ethoxy-4-methoxyphenyl)-N-[(1-phenylcyclopropyl)methyl]prop-2-enamide
CID 30664702
(E)-N-[(1-phenylcyclobutyl)methyl]but-2-enamide
CID 110477964
(E)-3-[4-(methylsulfamoyl)phenyl]-N-[(1-phenylcyclopropyl)methyl]prop-2-enamide
CID 30308521
(E)-N-[(1-phenylcyclobutyl)methyl]-3-thiophen-3-ylprop-2-enamide
CID 24614536
(E)-N-[[1-(3,4-dimethoxyphenyl)cyclopentyl]methyl]-3-(4-fluorophenyl)prop-2-enamide
CID 1322060
(E)-N-[1-(hydroxymethyl)cyclobutyl]-3-(4-methoxyphenyl)prop-2-enamide
CID 115878144
N-[(4-phenyloxan-4-yl)methyl]-3-(4-propan-2-ylphenyl)prop-2-enamide
CID 1308572
3-(4-methoxyphenyl)-N-[2-[3-(4-methoxyphenyl)prop-2-enoylamino]ethyl]prop-2-enamide
CID 2933087

Frequently Asked Questions

What is the IUPAC name of (E)-3-(4-methoxyphenyl)-N-[(1-phenylcyclopentyl)methyl]prop-2-enamide?
The IUPAC name of (E)-3-(4-methoxyphenyl)-N-[(1-phenylcyclopentyl)methyl]prop-2-enamide (CID 5399176) is (E)-3-(4-methoxyphenyl)-N-[(1-phenylcyclopentyl)methyl]prop-2-enamide.
What is the SMILES notation for (E)-3-(4-methoxyphenyl)-N-[(1-phenylcyclopentyl)methyl]prop-2-enamide?
The canonical SMILES for (E)-3-(4-methoxyphenyl)-N-[(1-phenylcyclopentyl)methyl]prop-2-enamide is COc1ccc(/C=C/C(=O)NCC2(c3ccccc3)CCCC2)cc1.
What is the InChIKey of (E)-3-(4-methoxyphenyl)-N-[(1-phenylcyclopentyl)methyl]prop-2-enamide?
The InChIKey is FDQKQZXEGPCBBA-SDNWHVSQSA-N. The full InChI is InChI=1S/C22H25NO2/c1-25-20-12-9-18(10-13-20)11-14-21(24)23-17-22(15-5-6-16-22)19-7-3-2-4-8-19/h2-4,7-14H,5-6,15-17H2,1H3,(H,23,24)/b14-11+.
What are the key properties of (E)-3-(4-methoxyphenyl)-N-[(1-phenylcyclopentyl)methyl]prop-2-enamide?
(E)-3-(4-methoxyphenyl)-N-[(1-phenylcyclopentyl)methyl]prop-2-enamide has a molecular weight of 335.45 g/mol, XLogP of 4.34, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(4-methoxyphenyl)-N-[(1-phenylcyclopentyl)methyl]prop-2-enamide is sourced from PubChem (CID 5399176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).