2-acetamido-3-phenyl-N-[(1-phenylcyclopentyl)methyl]prop-2-enamide

C23H26N2O2 — CID 76857593

IUPAC2-acetamido-3-phenyl-N-[(1-phenylcyclopentyl)methyl]prop-2-enamide
SMILESCC(=O)NC(=Cc1ccccc1)C(=O)NCC1(c2ccccc2)CCCC1
InChIInChI=1S/C23H26N2O2/c1-18(26)25-21(16-19-10-4-2-5-11-19)22(27)24-17-23(14-8-9-15-23)20-12-6-3-7-13-20/h2-7,10-13,16H,8-9,14-15,17H2,1H3,(H,24,27)(H,25,26)
InChIKeyNNNDBLPRQQWAGR-UHFFFAOYSA-N
MW362.47 g/mol
LogP3.79
Rot. Bonds6

About 2-acetamido-3-phenyl-N-[(1-phenylcyclopentyl)methyl]prop-2-enamide

2-acetamido-3-phenyl-N-[(1-phenylcyclopentyl)methyl]prop-2-enamide (PubChem CID 76857593) has the molecular formula C23H26N2O2 and a molecular weight of 362.47 g/mol. Its IUPAC name is 2-acetamido-3-phenyl-N-[(1-phenylcyclopentyl)methyl]prop-2-enamide.

Molecular Properties

Compound Name2-acetamido-3-phenyl-N-[(1-phenylcyclopentyl)methyl]prop-2-enamide
PubChem CID76857593
Molecular FormulaC23H26N2O2
Molecular Weight362.47 g/mol
Exact Mass362.20
IUPAC Name2-acetamido-3-phenyl-N-[(1-phenylcyclopentyl)methyl]prop-2-enamide
SMILESCC(=O)NC(=Cc1ccccc1)C(=O)NCC1(c2ccccc2)CCCC1
InChIInChI=1S/C23H26N2O2/c1-18(26)25-21(16-19-10-4-2-5-11-19)22(27)24-17-23(14-8-9-15-23)20-12-6-3-7-13-20/h2-7,10-13,16H,8-9,14-15,17H2,1H3,(H,24,27)(H,25,26)
InChIKeyNNNDBLPRQQWAGR-UHFFFAOYSA-N
XLogP3.79
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 ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(2-methylpropyl)-N'-[(1-phenylcyclopentyl)methyl]oxamide
CID 40566076
2-acetamido-N-cycloheptyl-3-phenylprop-2-enamide
CID 3677645
(E)-N-[(1-phenylcyclobutyl)methyl]but-2-enamide
CID 110477964
1-amino-N-[(1-phenylcyclobutyl)methyl]cyclopentane-1-carboxamide;hydrochloride
CID 119276343
N',N'-bis(2-hydroxyethyl)-N-[(1-phenylcyclopentyl)methyl]oxamide
CID 3749480
(Z)-2-acetamido-3-phenyl-N-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]prop-2-enamide
CID 8545344
[2-[[[(Z)-2-acetamido-3-phenylprop-2-enoyl]amino]methyl]phenyl]methyl-diethylazanium
CID 9073476
N-[(Z)-3-(2,2-dimethylhydrazinyl)-3-oxo-1-phenylprop-1-en-2-yl]acetamide
CID 9163961
2-amino-2-methyl-N-[(1-phenylcyclopentyl)methyl]propanamide
CID 110480032
(Z)-2-acetamido-N,N-dimethyl-3-phenylprop-2-enamide
CID 29278022
(E)-3-(4-methoxyphenyl)-N-[(1-phenylcyclopentyl)methyl]prop-2-enamide
CID 5399176
(E)-2-acetamido-N-(2-naphthalen-1-ylethyl)-3-phenylprop-2-enamide
CID 2294598

Frequently Asked Questions

What is the IUPAC name of 2-acetamido-3-phenyl-N-[(1-phenylcyclopentyl)methyl]prop-2-enamide?
The IUPAC name of 2-acetamido-3-phenyl-N-[(1-phenylcyclopentyl)methyl]prop-2-enamide (CID 76857593) is 2-acetamido-3-phenyl-N-[(1-phenylcyclopentyl)methyl]prop-2-enamide.
What is the SMILES notation for 2-acetamido-3-phenyl-N-[(1-phenylcyclopentyl)methyl]prop-2-enamide?
The canonical SMILES for 2-acetamido-3-phenyl-N-[(1-phenylcyclopentyl)methyl]prop-2-enamide is CC(=O)NC(=Cc1ccccc1)C(=O)NCC1(c2ccccc2)CCCC1.
What is the InChIKey of 2-acetamido-3-phenyl-N-[(1-phenylcyclopentyl)methyl]prop-2-enamide?
The InChIKey is NNNDBLPRQQWAGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O2/c1-18(26)25-21(16-19-10-4-2-5-11-19)22(27)24-17-23(14-8-9-15-23)20-12-6-3-7-13-20/h2-7,10-13,16H,8-9,14-15,17H2,1H3,(H,24,27)(H,25,26).
What are the key properties of 2-acetamido-3-phenyl-N-[(1-phenylcyclopentyl)methyl]prop-2-enamide?
2-acetamido-3-phenyl-N-[(1-phenylcyclopentyl)methyl]prop-2-enamide has a molecular weight of 362.47 g/mol, XLogP of 3.79, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-3-phenyl-N-[(1-phenylcyclopentyl)methyl]prop-2-enamide is sourced from PubChem (CID 76857593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).