(E)-N-(3,3-dimethylcyclopentyl)-3-(4-methylphenyl)prop-2-enamide

C17H23NO — CID 114550368

IUPAC(E)-N-(3,3-dimethylcyclopentyl)-3-(4-methylphenyl)prop-2-enamide
SMILESCc1ccc(/C=C/C(=O)NC2CCC(C)(C)C2)cc1
InChIInChI=1S/C17H23NO/c1-13-4-6-14(7-5-13)8-9-16(19)18-15-10-11-17(2,3)12-15/h4-9,15H,10-12H2,1-3H3,(H,18,19)/b9-8+
InChIKeyIGOJFKQVAMKXEL-CMDGGOBGSA-N
MW257.38 g/mol
LogP3.70
Rot. Bonds3

About (E)-N-(3,3-dimethylcyclopentyl)-3-(4-methylphenyl)prop-2-enamide

(E)-N-(3,3-dimethylcyclopentyl)-3-(4-methylphenyl)prop-2-enamide (PubChem CID 114550368) has the molecular formula C17H23NO and a molecular weight of 257.38 g/mol. Its IUPAC name is (E)-N-(3,3-dimethylcyclopentyl)-3-(4-methylphenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-(3,3-dimethylcyclopentyl)-3-(4-methylphenyl)prop-2-enamide
PubChem CID114550368
Molecular FormulaC17H23NO
Molecular Weight257.38 g/mol
Exact Mass257.18
IUPAC Name(E)-N-(3,3-dimethylcyclopentyl)-3-(4-methylphenyl)prop-2-enamide
SMILESCc1ccc(/C=C/C(=O)NC2CCC(C)(C)C2)cc1
InChIInChI=1S/C17H23NO/c1-13-4-6-14(7-5-13)8-9-16(19)18-15-10-11-17(2,3)12-15/h4-9,15H,10-12H2,1-3H3,(H,18,19)/b9-8+
InChIKeyIGOJFKQVAMKXEL-CMDGGOBGSA-N
XLogP3.70
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 53.70
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

(E)-3-(4-bromophenyl)-N-(3,3-dimethylcyclopentyl)prop-2-enamide
CID 114550381
(E)-N-(3,3-dimethylcyclopentyl)-3-(3-methylphenyl)prop-2-enamide
CID 114550472
(E)-N-(3,3-dimethylcyclopentyl)-3-(5-methylfuran-2-yl)prop-2-enamide
CID 115880719
(E)-3-(3-cyanophenyl)-N-(3,3-dimethylcyclopentyl)prop-2-enamide
CID 115880739
N-(1,1-dioxothiolan-3-yl)-3-(4-methylphenyl)prop-2-enamide
CID 3126681
(E)-N-(3,3-dimethylcyclopentyl)-3-[5-(2-methylcyclopropyl)furan-2-yl]prop-2-enamide
CID 114550449
(E)-3-(3-aminophenyl)-N-(3,3-dimethylcyclohexyl)prop-2-enamide
CID 115344818
(E)-N-(3,3-dimethylcyclopentyl)-3-(2-ethoxyphenyl)prop-2-enamide
CID 114550303
(E)-3-(benzenesulfonyl)-N-(3,3-dimethylcyclopentyl)prop-2-enamide
CID 114550405
[4-[(E)-3-[(4,4-dimethylcyclohexyl)amino]-3-oxoprop-1-enyl]-2-methoxyphenyl] acetate
CID 19004770
tert-butyl 4-[3-(4-methylphenyl)prop-2-enoylamino]piperidine-1-carboxylate
CID 76868527
(E)-3-(4-methylphenyl)-N-spiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-ylprop-2-enamide
CID 143840043

Frequently Asked Questions

What is the IUPAC name of (E)-N-(3,3-dimethylcyclopentyl)-3-(4-methylphenyl)prop-2-enamide?
The IUPAC name of (E)-N-(3,3-dimethylcyclopentyl)-3-(4-methylphenyl)prop-2-enamide (CID 114550368) is (E)-N-(3,3-dimethylcyclopentyl)-3-(4-methylphenyl)prop-2-enamide.
What is the SMILES notation for (E)-N-(3,3-dimethylcyclopentyl)-3-(4-methylphenyl)prop-2-enamide?
The canonical SMILES for (E)-N-(3,3-dimethylcyclopentyl)-3-(4-methylphenyl)prop-2-enamide is Cc1ccc(/C=C/C(=O)NC2CCC(C)(C)C2)cc1.
What is the InChIKey of (E)-N-(3,3-dimethylcyclopentyl)-3-(4-methylphenyl)prop-2-enamide?
The InChIKey is IGOJFKQVAMKXEL-CMDGGOBGSA-N. The full InChI is InChI=1S/C17H23NO/c1-13-4-6-14(7-5-13)8-9-16(19)18-15-10-11-17(2,3)12-15/h4-9,15H,10-12H2,1-3H3,(H,18,19)/b9-8+.
What are the key properties of (E)-N-(3,3-dimethylcyclopentyl)-3-(4-methylphenyl)prop-2-enamide?
(E)-N-(3,3-dimethylcyclopentyl)-3-(4-methylphenyl)prop-2-enamide has a molecular weight of 257.38 g/mol, XLogP of 3.70, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(3,3-dimethylcyclopentyl)-3-(4-methylphenyl)prop-2-enamide is sourced from PubChem (CID 114550368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).