2-cyano-N-cyclopentyl-3-(4-propoxyphenyl)prop-2-enamide

C18H22N2O2 — CID 5123323

IUPAC2-cyano-N-cyclopentyl-3-(4-propoxyphenyl)prop-2-enamide
SMILESCCCOc1ccc(C=C(C#N)C(=O)NC2CCCC2)cc1
InChIInChI=1S/C18H22N2O2/c1-2-11-22-17-9-7-14(8-10-17)12-15(13-19)18(21)20-16-5-3-4-6-16/h7-10,12,16H,2-6,11H2,1H3,(H,20,21)
InChIKeyRKCKAHQNPYQBBG-UHFFFAOYSA-N
MW298.39 g/mol
LogP3.44
Rot. Bonds6

About 2-cyano-N-cyclopentyl-3-(4-propoxyphenyl)prop-2-enamide

2-cyano-N-cyclopentyl-3-(4-propoxyphenyl)prop-2-enamide (PubChem CID 5123323) has the molecular formula C18H22N2O2 and a molecular weight of 298.39 g/mol. Its IUPAC name is 2-cyano-N-cyclopentyl-3-(4-propoxyphenyl)prop-2-enamide.

Molecular Properties

Compound Name2-cyano-N-cyclopentyl-3-(4-propoxyphenyl)prop-2-enamide
PubChem CID5123323
Molecular FormulaC18H22N2O2
Molecular Weight298.39 g/mol
Exact Mass298.17
IUPAC Name2-cyano-N-cyclopentyl-3-(4-propoxyphenyl)prop-2-enamide
SMILESCCCOc1ccc(C=C(C#N)C(=O)NC2CCCC2)cc1
InChIInChI=1S/C18H22N2O2/c1-2-11-22-17-9-7-14(8-10-17)12-15(13-19)18(21)20-16-5-3-4-6-16/h7-10,12,16H,2-6,11H2,1H3,(H,20,21)
InChIKeyRKCKAHQNPYQBBG-UHFFFAOYSA-N
XLogP3.44
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(Z)-3-(4-butoxyphenyl)-2-cyano-N-cyclohexylprop-2-enamide
CID 19175534
(E)-2-cyano-N-methyl-3-(4-propoxyphenyl)prop-2-enamide
CID 29424540
methyl 4-[(E)-2-cyano-3-(cyclopentylamino)-3-oxoprop-1-enyl]benzoate
CID 17373364
(E)-2-cyano-N-cyclohexyl-3-(2-propoxyphenyl)prop-2-enamide
CID 19206616
(2S)-2-[4-[(Z)-2-cyano-3-(cyclohexylamino)-3-oxoprop-1-enyl]phenoxy]propanoic acid
CID 801668
(E)-2-cyano-N-cyclopropyl-3-(3-ethoxy-4-propoxyphenyl)prop-2-enamide
CID 6085512
2-cyano-N-cyclohexyl-3-[4-(diethylamino)phenyl]prop-2-enamide
CID 3674797
(Z)-2-cyano-N-cyclopentyl-3-(4-propan-2-ylphenyl)prop-2-enamide
CID 7258087
ethyl N-[(E)-2-cyano-3-(4-propoxyphenyl)prop-2-enoyl]carbamate
CID 102425102
(Z)-2-cyano-N-cyclopentyl-3-[4-[(3,4-dichlorophenyl)methoxy]phenyl]prop-2-enamide
CID 17278002
2-cyano-N-cyclohexyl-3-[4-[(3-fluorophenyl)methoxy]phenyl]prop-2-enamide
CID 5138750
(Z)-2-cyano-N-cyclohexyl-3-(3-methoxy-4-pentoxyphenyl)prop-2-enamide
CID 19183837

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-cyclopentyl-3-(4-propoxyphenyl)prop-2-enamide?
The IUPAC name of 2-cyano-N-cyclopentyl-3-(4-propoxyphenyl)prop-2-enamide (CID 5123323) is 2-cyano-N-cyclopentyl-3-(4-propoxyphenyl)prop-2-enamide.
What is the SMILES notation for 2-cyano-N-cyclopentyl-3-(4-propoxyphenyl)prop-2-enamide?
The canonical SMILES for 2-cyano-N-cyclopentyl-3-(4-propoxyphenyl)prop-2-enamide is CCCOc1ccc(C=C(C#N)C(=O)NC2CCCC2)cc1.
What is the InChIKey of 2-cyano-N-cyclopentyl-3-(4-propoxyphenyl)prop-2-enamide?
The InChIKey is RKCKAHQNPYQBBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O2/c1-2-11-22-17-9-7-14(8-10-17)12-15(13-19)18(21)20-16-5-3-4-6-16/h7-10,12,16H,2-6,11H2,1H3,(H,20,21).
What are the key properties of 2-cyano-N-cyclopentyl-3-(4-propoxyphenyl)prop-2-enamide?
2-cyano-N-cyclopentyl-3-(4-propoxyphenyl)prop-2-enamide has a molecular weight of 298.39 g/mol, XLogP of 3.44, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-cyclopentyl-3-(4-propoxyphenyl)prop-2-enamide is sourced from PubChem (CID 5123323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).