N-[3-[[3-(4-ethoxyphenyl)prop-2-enoylamino]methyl]phenyl]cyclopentanecarboxamide

C24H28N2O3 — CID 76866423

IUPACN-[3-[[3-(4-ethoxyphenyl)prop-2-enoylamino]methyl]phenyl]cyclopentanecarboxamide
SMILESCCOc1ccc(C=CC(=O)NCc2cccc(NC(=O)C3CCCC3)c2)cc1
InChIInChI=1S/C24H28N2O3/c1-2-29-22-13-10-18(11-14-22)12-15-23(27)25-17-19-6-5-9-21(16-19)26-24(28)20-7-3-4-8-20/h5-6,9-16,20H,2-4,7-8,17H2,1H3,(H,25,27)(H,26,28)
InChIKeyUTIVZEOUSZAFAK-UHFFFAOYSA-N
MW392.50 g/mol
LogP4.54
Rot. Bonds8

About N-[3-[[3-(4-ethoxyphenyl)prop-2-enoylamino]methyl]phenyl]cyclopentanecarboxamide

N-[3-[[3-(4-ethoxyphenyl)prop-2-enoylamino]methyl]phenyl]cyclopentanecarboxamide (PubChem CID 76866423) has the molecular formula C24H28N2O3 and a molecular weight of 392.50 g/mol. Its IUPAC name is N-[3-[[3-(4-ethoxyphenyl)prop-2-enoylamino]methyl]phenyl]cyclopentanecarboxamide.

Molecular Properties

Compound NameN-[3-[[3-(4-ethoxyphenyl)prop-2-enoylamino]methyl]phenyl]cyclopentanecarboxamide
PubChem CID76866423
Molecular FormulaC24H28N2O3
Molecular Weight392.50 g/mol
Exact Mass392.21
IUPAC NameN-[3-[[3-(4-ethoxyphenyl)prop-2-enoylamino]methyl]phenyl]cyclopentanecarboxamide
SMILESCCOc1ccc(C=CC(=O)NCc2cccc(NC(=O)C3CCCC3)c2)cc1
InChIInChI=1S/C24H28N2O3/c1-2-29-22-13-10-18(11-14-22)12-15-23(27)25-17-19-6-5-9-21(16-19)26-24(28)20-7-3-4-8-20/h5-6,9-16,20H,2-4,7-8,17H2,1H3,(H,25,27)(H,26,28)
InChIKeyUTIVZEOUSZAFAK-UHFFFAOYSA-N
XLogP4.54
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.50
LogP ≤ 54.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[3-[[3-(4-ethoxyphenyl)prop-2-enoylamino]methyl]phenyl]cyclopentanecarboxamide 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-[3-[[3-(3-methylphenyl)prop-2-enoylamino]methyl]phenyl]cyclopentanecarboxamide
CID 76866422
N-[3-[[[(E)-3-(3-methylphenyl)prop-2-enoyl]amino]methyl]phenyl]cyclopentanecarboxamide
CID 60535568
N-[3-[[[(E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]amino]methyl]phenyl]cyclopentanecarboxamide
CID 60535477
N-[3-[[[(E)-3-(4-nitrophenyl)prop-2-enoyl]amino]methyl]phenyl]cyclopentanecarboxamide
CID 60535387
N-[3-[[[(E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]amino]methyl]phenyl]cyclopropanecarboxamide
CID 46808204
4-N-(4-ethoxyphenyl)-1-N-[(3-methylphenyl)methyl]cyclohexane-1,4-dicarboxamide
CID 109148110
N-[1-[[3-(cyclopentanecarbonylamino)phenyl]methylamino]-3-methyl-1-oxobutan-2-yl]-4-ethoxybenzamide
CID 55893275
N-[2-[[(E)-3-(4-ethoxyphenyl)prop-2-enoyl]amino]ethyl]cyclopropanecarboxamide
CID 32969433
(E)-N-(3-ethoxyphenyl)-3-(4-ethoxyphenyl)prop-2-enamide
CID 17227150
(E)-3-(4-ethoxyphenyl)-N-[3-(oxan-4-ylsulfanylmethyl)phenyl]prop-2-enamide
CID 86961651
(E)-N-[(3-acetamidophenyl)methyl]-3-[4-(difluoromethoxy)phenyl]prop-2-enamide
CID 39572660
N-[[3-(cyclopentanecarbonylamino)phenyl]methyl]piperidine-4-carboxamide;hydrochloride
CID 119299314

Frequently Asked Questions

What is the IUPAC name of N-[3-[[3-(4-ethoxyphenyl)prop-2-enoylamino]methyl]phenyl]cyclopentanecarboxamide?
The IUPAC name of N-[3-[[3-(4-ethoxyphenyl)prop-2-enoylamino]methyl]phenyl]cyclopentanecarboxamide (CID 76866423) is N-[3-[[3-(4-ethoxyphenyl)prop-2-enoylamino]methyl]phenyl]cyclopentanecarboxamide.
What is the SMILES notation for N-[3-[[3-(4-ethoxyphenyl)prop-2-enoylamino]methyl]phenyl]cyclopentanecarboxamide?
The canonical SMILES for N-[3-[[3-(4-ethoxyphenyl)prop-2-enoylamino]methyl]phenyl]cyclopentanecarboxamide is CCOc1ccc(C=CC(=O)NCc2cccc(NC(=O)C3CCCC3)c2)cc1.
What is the InChIKey of N-[3-[[3-(4-ethoxyphenyl)prop-2-enoylamino]methyl]phenyl]cyclopentanecarboxamide?
The InChIKey is UTIVZEOUSZAFAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N2O3/c1-2-29-22-13-10-18(11-14-22)12-15-23(27)25-17-19-6-5-9-21(16-19)26-24(28)20-7-3-4-8-20/h5-6,9-16,20H,2-4,7-8,17H2,1H3,(H,25,27)(H,26,28).
What are the key properties of N-[3-[[3-(4-ethoxyphenyl)prop-2-enoylamino]methyl]phenyl]cyclopentanecarboxamide?
N-[3-[[3-(4-ethoxyphenyl)prop-2-enoylamino]methyl]phenyl]cyclopentanecarboxamide has a molecular weight of 392.50 g/mol, XLogP of 4.54, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[3-(4-ethoxyphenyl)prop-2-enoylamino]methyl]phenyl]cyclopentanecarboxamide is sourced from PubChem (CID 76866423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).