(Z)-2-cyano-3-[(2-methylcyclohexyl)amino]-N-(1-phenylethyl)prop-2-enamide

C19H25N3O — CID 108840058

IUPAC(Z)-2-cyano-3-[(2-methylcyclohexyl)amino]-N-(1-phenylethyl)prop-2-enamide
SMILESCC(NC(=O)/C(C#N)=C\NC1CCCCC1C)c1ccccc1
InChIInChI=1S/C19H25N3O/c1-14-8-6-7-11-18(14)21-13-17(12-20)19(23)22-15(2)16-9-4-3-5-10-16/h3-5,9-10,13-15,18,21H,6-8,11H2,1-2H3,(H,22,23)/b17-13-
InChIKeyNHPBCAYONOALFY-LGMDPLHJSA-N
MW311.43 g/mol
LogP3.44
Rot. Bonds5

About (Z)-2-cyano-3-[(2-methylcyclohexyl)amino]-N-(1-phenylethyl)prop-2-enamide

(Z)-2-cyano-3-[(2-methylcyclohexyl)amino]-N-(1-phenylethyl)prop-2-enamide (PubChem CID 108840058) has the molecular formula C19H25N3O and a molecular weight of 311.43 g/mol. Its IUPAC name is (Z)-2-cyano-3-[(2-methylcyclohexyl)amino]-N-(1-phenylethyl)prop-2-enamide.

Molecular Properties

Compound Name(Z)-2-cyano-3-[(2-methylcyclohexyl)amino]-N-(1-phenylethyl)prop-2-enamide
PubChem CID108840058
Molecular FormulaC19H25N3O
Molecular Weight311.43 g/mol
Exact Mass311.20
IUPAC Name(Z)-2-cyano-3-[(2-methylcyclohexyl)amino]-N-(1-phenylethyl)prop-2-enamide
SMILESCC(NC(=O)/C(C#N)=C\NC1CCCCC1C)c1ccccc1
InChIInChI=1S/C19H25N3O/c1-14-8-6-7-11-18(14)21-13-17(12-20)19(23)22-15(2)16-9-4-3-5-10-16/h3-5,9-10,13-15,18,21H,6-8,11H2,1-2H3,(H,22,23)/b17-13-
InChIKeyNHPBCAYONOALFY-LGMDPLHJSA-N
XLogP3.44
TPSA64.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 53.44
H-Bond Donors ≤ 52
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)-2-cyano-N-[1-(4-ethylphenyl)ethyl]-3-[(2-methylcyclohexyl)amino]prop-2-enamide
CID 108848582
(Z)-2-cyano-3-(cycloheptylamino)-N-(1-phenylethyl)prop-2-enamide
CID 108840126
(Z)-N-butan-2-yl-2-cyano-3-[(2-methylcyclohexyl)amino]prop-2-enamide
CID 108834476
(Z)-2-cyano-N-[1-(2-ethoxy-5-methylphenyl)ethyl]-3-[(2-methylcyclohexyl)amino]prop-2-enamide
CID 108847836
(Z)-N-benzyl-2-cyano-3-[(2-methylcyclohexyl)amino]-N-propan-2-ylprop-2-enamide
CID 108830019
(Z)-2-cyano-3-[(2-methylcyclohexyl)amino]-N-(2-methyl-6-propan-2-ylphenyl)prop-2-enamide
CID 108822574
(Z)-2-cyano-N-cyclododecyl-3-[(2-methylcyclohexyl)amino]prop-2-enamide
CID 108862697
(E)-2-cyano-3-[5-(2-methylcyclopropyl)furan-2-yl]-N-(1-phenylethyl)prop-2-enamide
CID 166404368
(Z)-2-cyano-3-phenyl-N-[(1S)-1-phenylethyl]prop-2-enamide
CID 99822584
(Z)-2-cyano-3-[(2-methylcyclohexyl)amino]-N-(3-nitrophenyl)prop-2-enamide
CID 108853421
(Z)-2-cyano-3-(4-nitroanilino)-N-(1-phenylethyl)prop-2-enamide
CID 108839972
(Z)-3-(2-chloroethylamino)-2-cyano-N-(1-phenylethyl)prop-2-enamide
CID 108839976

Frequently Asked Questions

What is the IUPAC name of (Z)-2-cyano-3-[(2-methylcyclohexyl)amino]-N-(1-phenylethyl)prop-2-enamide?
The IUPAC name of (Z)-2-cyano-3-[(2-methylcyclohexyl)amino]-N-(1-phenylethyl)prop-2-enamide (CID 108840058) is (Z)-2-cyano-3-[(2-methylcyclohexyl)amino]-N-(1-phenylethyl)prop-2-enamide.
What is the SMILES notation for (Z)-2-cyano-3-[(2-methylcyclohexyl)amino]-N-(1-phenylethyl)prop-2-enamide?
The canonical SMILES for (Z)-2-cyano-3-[(2-methylcyclohexyl)amino]-N-(1-phenylethyl)prop-2-enamide is CC(NC(=O)/C(C#N)=C\NC1CCCCC1C)c1ccccc1.
What is the InChIKey of (Z)-2-cyano-3-[(2-methylcyclohexyl)amino]-N-(1-phenylethyl)prop-2-enamide?
The InChIKey is NHPBCAYONOALFY-LGMDPLHJSA-N. The full InChI is InChI=1S/C19H25N3O/c1-14-8-6-7-11-18(14)21-13-17(12-20)19(23)22-15(2)16-9-4-3-5-10-16/h3-5,9-10,13-15,18,21H,6-8,11H2,1-2H3,(H,22,23)/b17-13-.
What are the key properties of (Z)-2-cyano-3-[(2-methylcyclohexyl)amino]-N-(1-phenylethyl)prop-2-enamide?
(Z)-2-cyano-3-[(2-methylcyclohexyl)amino]-N-(1-phenylethyl)prop-2-enamide has a molecular weight of 311.43 g/mol, XLogP of 3.44, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-cyano-3-[(2-methylcyclohexyl)amino]-N-(1-phenylethyl)prop-2-enamide is sourced from PubChem (CID 108840058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).