N-[2-(2-phenylethyl)cyclopentyl]prop-2-enamide

C16H21NO — CID 146095230

IUPACN-[2-(2-phenylethyl)cyclopentyl]prop-2-enamide
SMILESC=CC(=O)NC1CCCC1CCc1ccccc1
InChIInChI=1S/C16H21NO/c1-2-16(18)17-15-10-6-9-14(15)12-11-13-7-4-3-5-8-13/h2-5,7-8,14-15H,1,6,9-12H2,(H,17,18)
InChIKeyUENRUMDWVWKEJI-UHFFFAOYSA-N
MW243.35 g/mol
LogP3.09
Rot. Bonds5

About N-[2-(2-phenylethyl)cyclopentyl]prop-2-enamide

N-[2-(2-phenylethyl)cyclopentyl]prop-2-enamide (PubChem CID 146095230) has the molecular formula C16H21NO and a molecular weight of 243.35 g/mol. Its IUPAC name is N-[2-(2-phenylethyl)cyclopentyl]prop-2-enamide.

Molecular Properties

Compound NameN-[2-(2-phenylethyl)cyclopentyl]prop-2-enamide
PubChem CID146095230
Molecular FormulaC16H21NO
Molecular Weight243.35 g/mol
Exact Mass243.16
IUPAC NameN-[2-(2-phenylethyl)cyclopentyl]prop-2-enamide
SMILESC=CC(=O)NC1CCCC1CCc1ccccc1
InChIInChI=1S/C16H21NO/c1-2-16(18)17-15-10-6-9-14(15)12-11-13-7-4-3-5-8-13/h2-5,7-8,14-15H,1,6,9-12H2,(H,17,18)
InChIKeyUENRUMDWVWKEJI-UHFFFAOYSA-N
XLogP3.09
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-(2-phenylmethoxycyclohexyl)prop-2-enamide
CID 139017249
cis-(1R,2S)-2-(2-phenylethyl)cyclopentan-1-amine
CID 92754803
cis-(1S,2R)-2-(2-phenylethyl)cyclopentan-1-amine
CID 92754802
N-[[2-[[2-(2-fluorophenyl)acetyl]amino]cyclopentyl]methyl]prop-2-enamide
CID 154881209
N-[1-(3-phenylpropanoyl)piperidin-4-yl]prop-2-enamide
CID 166406035
(E)-N-[2-(hydroxymethyl)cyclopentyl]-3-phenylprop-2-enamide
CID 103751614
N,N-dimethyl-3-[2-[[(1S,2R)-2-(2-phenylethyl)cyclopentyl]amino]ethyl]benzamide
CID 99718052
N-(2-bromocyclopentyl)-4-phenylbutanamide
CID 80663026
2-phenyl-N-[(1S,2S)-2-[(2-phenylacetyl)amino]cyclohexyl]acetamide
CID 1011315
(E)-N-(2-benzylcyclohexyl)-3-(4-chlorophenyl)prop-2-enamide
CID 14965454
methyl N-[4-(2-phenylethyl)piperidin-3-yl]carbamate
CID 174765782
(2S)-2-amino-N-(2-ethylcyclohexyl)-4-phenylbutanamide
CID 104983988

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-phenylethyl)cyclopentyl]prop-2-enamide?
The IUPAC name of N-[2-(2-phenylethyl)cyclopentyl]prop-2-enamide (CID 146095230) is N-[2-(2-phenylethyl)cyclopentyl]prop-2-enamide.
What is the SMILES notation for N-[2-(2-phenylethyl)cyclopentyl]prop-2-enamide?
The canonical SMILES for N-[2-(2-phenylethyl)cyclopentyl]prop-2-enamide is C=CC(=O)NC1CCCC1CCc1ccccc1.
What is the InChIKey of N-[2-(2-phenylethyl)cyclopentyl]prop-2-enamide?
The InChIKey is UENRUMDWVWKEJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO/c1-2-16(18)17-15-10-6-9-14(15)12-11-13-7-4-3-5-8-13/h2-5,7-8,14-15H,1,6,9-12H2,(H,17,18).
What are the key properties of N-[2-(2-phenylethyl)cyclopentyl]prop-2-enamide?
N-[2-(2-phenylethyl)cyclopentyl]prop-2-enamide has a molecular weight of 243.35 g/mol, XLogP of 3.09, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-phenylethyl)cyclopentyl]prop-2-enamide is sourced from PubChem (CID 146095230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).