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

C23H26N2O2 — CID 76866422

IUPACN-[3-[[3-(3-methylphenyl)prop-2-enoylamino]methyl]phenyl]cyclopentanecarboxamide
SMILESCc1cccc(C=CC(=O)NCc2cccc(NC(=O)C3CCCC3)c2)c1
InChIInChI=1S/C23H26N2O2/c1-17-6-4-7-18(14-17)12-13-22(26)24-16-19-8-5-11-21(15-19)25-23(27)20-9-2-3-10-20/h4-8,11-15,20H,2-3,9-10,16H2,1H3,(H,24,26)(H,25,27)
InChIKeyCOGTXVSWGIMYPV-UHFFFAOYSA-N
MW362.47 g/mol
LogP4.45
Rot. Bonds6

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

N-[3-[[3-(3-methylphenyl)prop-2-enoylamino]methyl]phenyl]cyclopentanecarboxamide (PubChem CID 76866422) has the molecular formula C23H26N2O2 and a molecular weight of 362.47 g/mol. Its IUPAC name is N-[3-[[3-(3-methylphenyl)prop-2-enoylamino]methyl]phenyl]cyclopentanecarboxamide.

Molecular Properties

Compound NameN-[3-[[3-(3-methylphenyl)prop-2-enoylamino]methyl]phenyl]cyclopentanecarboxamide
PubChem CID76866422
Molecular FormulaC23H26N2O2
Molecular Weight362.47 g/mol
Exact Mass362.20
IUPAC NameN-[3-[[3-(3-methylphenyl)prop-2-enoylamino]methyl]phenyl]cyclopentanecarboxamide
SMILESCc1cccc(C=CC(=O)NCc2cccc(NC(=O)C3CCCC3)c2)c1
InChIInChI=1S/C23H26N2O2/c1-17-6-4-7-18(14-17)12-13-22(26)24-16-19-8-5-11-21(15-19)25-23(27)20-9-2-3-10-20/h4-8,11-15,20H,2-3,9-10,16H2,1H3,(H,24,26)(H,25,27)
InChIKeyCOGTXVSWGIMYPV-UHFFFAOYSA-N
XLogP4.45
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.47
LogP ≤ 54.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-[3-[[3-(3-methylphenyl)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-[[[(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-[[3-(4-ethoxyphenyl)prop-2-enoylamino]methyl]phenyl]cyclopentanecarboxamide
CID 76866423
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
N-[(3-methylphenyl)methyl]cyclopentanecarboxamide
CID 39985159
1-N-[(3-methylphenyl)methyl]-4-N-phenylcyclohexane-1,4-dicarboxamide
CID 109148085
N-[[3-(cyclopentanecarbonylamino)phenyl]methyl]piperidine-4-carboxamide;hydrochloride
CID 119299314
4-N-(3-fluorophenyl)-1-N-[(3-methylphenyl)methyl]cyclohexane-1,4-dicarboxamide
CID 109148115
N-[3-[[[N-ethyl-N'-[(3-methylphenyl)methyl]carbamimidoyl]amino]methyl]phenyl]cyclobutanecarboxamide
CID 111901141
4-acetamido-N-[[3-(cyclopentanecarbonylamino)phenyl]methyl]benzamide
CID 60535462
N-[(3-acetamidophenyl)methyl]-3-(cyclohexanecarbonylamino)benzamide
CID 39575427

Frequently Asked Questions

What is the IUPAC name of N-[3-[[3-(3-methylphenyl)prop-2-enoylamino]methyl]phenyl]cyclopentanecarboxamide?
The IUPAC name of N-[3-[[3-(3-methylphenyl)prop-2-enoylamino]methyl]phenyl]cyclopentanecarboxamide (CID 76866422) is N-[3-[[3-(3-methylphenyl)prop-2-enoylamino]methyl]phenyl]cyclopentanecarboxamide.
What is the SMILES notation for N-[3-[[3-(3-methylphenyl)prop-2-enoylamino]methyl]phenyl]cyclopentanecarboxamide?
The canonical SMILES for N-[3-[[3-(3-methylphenyl)prop-2-enoylamino]methyl]phenyl]cyclopentanecarboxamide is Cc1cccc(C=CC(=O)NCc2cccc(NC(=O)C3CCCC3)c2)c1.
What is the InChIKey of N-[3-[[3-(3-methylphenyl)prop-2-enoylamino]methyl]phenyl]cyclopentanecarboxamide?
The InChIKey is COGTXVSWGIMYPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O2/c1-17-6-4-7-18(14-17)12-13-22(26)24-16-19-8-5-11-21(15-19)25-23(27)20-9-2-3-10-20/h4-8,11-15,20H,2-3,9-10,16H2,1H3,(H,24,26)(H,25,27).
What are the key properties of N-[3-[[3-(3-methylphenyl)prop-2-enoylamino]methyl]phenyl]cyclopentanecarboxamide?
N-[3-[[3-(3-methylphenyl)prop-2-enoylamino]methyl]phenyl]cyclopentanecarboxamide has a molecular weight of 362.47 g/mol, XLogP of 4.45, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[3-(3-methylphenyl)prop-2-enoylamino]methyl]phenyl]cyclopentanecarboxamide is sourced from PubChem (CID 76866422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).