(E)-N-[2-(hydroxymethyl)cyclopentyl]-3-(4-methylphenyl)prop-2-enamide

C16H21NO2 — CID 103751562

IUPAC(E)-N-[2-(hydroxymethyl)cyclopentyl]-3-(4-methylphenyl)prop-2-enamide
SMILESCc1ccc(/C=C/C(=O)NC2CCCC2CO)cc1
InChIInChI=1S/C16H21NO2/c1-12-5-7-13(8-6-12)9-10-16(19)17-15-4-2-3-14(15)11-18/h5-10,14-15,18H,2-4,11H2,1H3,(H,17,19)/b10-9+
InChIKeyKTFHEQVDQLBNQA-MDZDMXLPSA-N
MW259.35 g/mol
LogP2.29
Rot. Bonds4

About (E)-N-[2-(hydroxymethyl)cyclopentyl]-3-(4-methylphenyl)prop-2-enamide

(E)-N-[2-(hydroxymethyl)cyclopentyl]-3-(4-methylphenyl)prop-2-enamide (PubChem CID 103751562) has the molecular formula C16H21NO2 and a molecular weight of 259.35 g/mol. Its IUPAC name is (E)-N-[2-(hydroxymethyl)cyclopentyl]-3-(4-methylphenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-[2-(hydroxymethyl)cyclopentyl]-3-(4-methylphenyl)prop-2-enamide
PubChem CID103751562
Molecular FormulaC16H21NO2
Molecular Weight259.35 g/mol
Exact Mass259.16
IUPAC Name(E)-N-[2-(hydroxymethyl)cyclopentyl]-3-(4-methylphenyl)prop-2-enamide
SMILESCc1ccc(/C=C/C(=O)NC2CCCC2CO)cc1
InChIInChI=1S/C16H21NO2/c1-12-5-7-13(8-6-12)9-10-16(19)17-15-4-2-3-14(15)11-18/h5-10,14-15,18H,2-4,11H2,1H3,(H,17,19)/b10-9+
InChIKeyKTFHEQVDQLBNQA-MDZDMXLPSA-N
XLogP2.29
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 52.29
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

(E)-N-[2-(hydroxymethyl)cyclopentyl]-3-phenylprop-2-enamide
CID 103751614
(E)-N-[2-(hydroxymethyl)cyclopentyl]-3-(4-propan-2-ylphenyl)prop-2-enamide
CID 103774213
(E)-3-(4-bromophenyl)-N-[2-(hydroxymethyl)cyclohexyl]prop-2-enamide
CID 103860499
(E)-3-(4-chlorophenyl)-N-[2-(hydroxymethyl)cyclohexyl]prop-2-enamide
CID 103798353
(E)-N-[2-(hydroxymethyl)cyclohexyl]-3-(4-methoxyphenyl)prop-2-enamide
CID 103860266
(E)-3-(2,4-dimethylphenyl)-N-[2-(hydroxymethyl)cyclohexyl]prop-2-enamide
CID 103860372
(E)-N-[2-(hydroxymethyl)cyclopentyl]-3-(5-methylthiophen-2-yl)prop-2-enamide
CID 113259271
N-[2-(hydroxymethyl)cyclopentyl]-2-(4-methylphenyl)acetamide
CID 103751406
(E)-N-[2-(hydroxymethyl)cyclohexyl]-3-(5-methylthiophen-2-yl)prop-2-enamide
CID 103860357
(E)-3-(3-fluorophenyl)-N-[2-(hydroxymethyl)cyclohexyl]prop-2-enamide
CID 103798358
(E)-N-[2-(hydroxymethyl)cyclohexyl]-3-pyridin-3-ylprop-2-enamide
CID 103798326
(E)-N-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]-3-(4-methylphenyl)prop-2-enamide
CID 124833892

Frequently Asked Questions

What is the IUPAC name of (E)-N-[2-(hydroxymethyl)cyclopentyl]-3-(4-methylphenyl)prop-2-enamide?
The IUPAC name of (E)-N-[2-(hydroxymethyl)cyclopentyl]-3-(4-methylphenyl)prop-2-enamide (CID 103751562) is (E)-N-[2-(hydroxymethyl)cyclopentyl]-3-(4-methylphenyl)prop-2-enamide.
What is the SMILES notation for (E)-N-[2-(hydroxymethyl)cyclopentyl]-3-(4-methylphenyl)prop-2-enamide?
The canonical SMILES for (E)-N-[2-(hydroxymethyl)cyclopentyl]-3-(4-methylphenyl)prop-2-enamide is Cc1ccc(/C=C/C(=O)NC2CCCC2CO)cc1.
What is the InChIKey of (E)-N-[2-(hydroxymethyl)cyclopentyl]-3-(4-methylphenyl)prop-2-enamide?
The InChIKey is KTFHEQVDQLBNQA-MDZDMXLPSA-N. The full InChI is InChI=1S/C16H21NO2/c1-12-5-7-13(8-6-12)9-10-16(19)17-15-4-2-3-14(15)11-18/h5-10,14-15,18H,2-4,11H2,1H3,(H,17,19)/b10-9+.
What are the key properties of (E)-N-[2-(hydroxymethyl)cyclopentyl]-3-(4-methylphenyl)prop-2-enamide?
(E)-N-[2-(hydroxymethyl)cyclopentyl]-3-(4-methylphenyl)prop-2-enamide has a molecular weight of 259.35 g/mol, XLogP of 2.29, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[2-(hydroxymethyl)cyclopentyl]-3-(4-methylphenyl)prop-2-enamide is sourced from PubChem (CID 103751562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).