(Z)-3-[benzyl(methyl)amino]-2-cyano-N-cyclohexyl-N-methylprop-2-enamide

C19H25N3O — CID 108830342

IUPAC(Z)-3-[benzyl(methyl)amino]-2-cyano-N-cyclohexyl-N-methylprop-2-enamide
SMILESCN(/C=C(/C#N)C(=O)N(C)C1CCCCC1)Cc1ccccc1
InChIInChI=1S/C19H25N3O/c1-21(14-16-9-5-3-6-10-16)15-17(13-20)19(23)22(2)18-11-7-4-8-12-18/h3,5-6,9-10,15,18H,4,7-8,11-12,14H2,1-2H3/b17-15-
InChIKeyARWGLMBOENMWCO-ICFOKQHNSA-N
MW311.43 g/mol
LogP3.32
Rot. Bonds5

About (Z)-3-[benzyl(methyl)amino]-2-cyano-N-cyclohexyl-N-methylprop-2-enamide

(Z)-3-[benzyl(methyl)amino]-2-cyano-N-cyclohexyl-N-methylprop-2-enamide (PubChem CID 108830342) has the molecular formula C19H25N3O and a molecular weight of 311.43 g/mol. Its IUPAC name is (Z)-3-[benzyl(methyl)amino]-2-cyano-N-cyclohexyl-N-methylprop-2-enamide.

Molecular Properties

Compound Name(Z)-3-[benzyl(methyl)amino]-2-cyano-N-cyclohexyl-N-methylprop-2-enamide
PubChem CID108830342
Molecular FormulaC19H25N3O
Molecular Weight311.43 g/mol
Exact Mass311.20
IUPAC Name(Z)-3-[benzyl(methyl)amino]-2-cyano-N-cyclohexyl-N-methylprop-2-enamide
SMILESCN(/C=C(/C#N)C(=O)N(C)C1CCCCC1)Cc1ccccc1
InChIInChI=1S/C19H25N3O/c1-21(14-16-9-5-3-6-10-16)15-17(13-20)19(23)22(2)18-11-7-4-8-12-18/h3,5-6,9-10,15,18H,4,7-8,11-12,14H2,1-2H3/b17-15-
InChIKeyARWGLMBOENMWCO-ICFOKQHNSA-N
XLogP3.32
TPSA47.34 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 53.32
H-Bond Donors ≤ 50
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-[benzyl(propan-2-yl)amino]-2-cyano-N-methyl-N-(1-methylpiperidin-4-yl)prop-2-enamide
CID 108838418
(Z)-3-[butyl(methyl)amino]-2-cyano-N-cyclohexyl-N-methylprop-2-enamide
CID 108830427
(Z)-2-cyano-N-cyclohexyl-3-(4-ethylanilino)-N-methylprop-2-enamide
CID 108830370
(Z)-2-cyano-N-cyclohexyl-N-methyl-3-(naphthalen-1-ylamino)prop-2-enamide
CID 108830422
(Z)-3-(2-bromoanilino)-2-cyano-N-cyclohexyl-N-methylprop-2-enamide
CID 108830481
(Z)-3-[(3-bromophenyl)methylamino]-2-cyano-N-cyclohexyl-N-methylprop-2-enamide
CID 108830541
(Z)-3-[[3-(aminomethyl)phenyl]methylamino]-2-cyano-N-cyclohexyl-N-methylprop-2-enamide
CID 108830343
2-[[(Z)-3-[benzyl(methyl)amino]-2-cyanoprop-2-enoyl]amino]acetic acid
CID 108844056
(Z)-3-(4-benzhydrylpiperazin-1-yl)-2-cyano-N-cyclohexyl-N-methylprop-2-enamide
CID 108830251
2-[3-[2-cyano-3-[cyclohexyl(methyl)amino]-3-oxoprop-1-enyl]indol-1-yl]acetic acid
CID 69495640
(Z)-3-(2-butan-2-ylanilino)-2-cyano-N-cyclohexyl-N-methylprop-2-enamide
CID 108830512
(Z)-2-cyano-N-cyclohexyl-3-(4-iodoanilino)-N-methylprop-2-enamide
CID 108830485

Frequently Asked Questions

What is the IUPAC name of (Z)-3-[benzyl(methyl)amino]-2-cyano-N-cyclohexyl-N-methylprop-2-enamide?
The IUPAC name of (Z)-3-[benzyl(methyl)amino]-2-cyano-N-cyclohexyl-N-methylprop-2-enamide (CID 108830342) is (Z)-3-[benzyl(methyl)amino]-2-cyano-N-cyclohexyl-N-methylprop-2-enamide.
What is the SMILES notation for (Z)-3-[benzyl(methyl)amino]-2-cyano-N-cyclohexyl-N-methylprop-2-enamide?
The canonical SMILES for (Z)-3-[benzyl(methyl)amino]-2-cyano-N-cyclohexyl-N-methylprop-2-enamide is CN(/C=C(/C#N)C(=O)N(C)C1CCCCC1)Cc1ccccc1.
What is the InChIKey of (Z)-3-[benzyl(methyl)amino]-2-cyano-N-cyclohexyl-N-methylprop-2-enamide?
The InChIKey is ARWGLMBOENMWCO-ICFOKQHNSA-N. The full InChI is InChI=1S/C19H25N3O/c1-21(14-16-9-5-3-6-10-16)15-17(13-20)19(23)22(2)18-11-7-4-8-12-18/h3,5-6,9-10,15,18H,4,7-8,11-12,14H2,1-2H3/b17-15-.
What are the key properties of (Z)-3-[benzyl(methyl)amino]-2-cyano-N-cyclohexyl-N-methylprop-2-enamide?
(Z)-3-[benzyl(methyl)amino]-2-cyano-N-cyclohexyl-N-methylprop-2-enamide has a molecular weight of 311.43 g/mol, XLogP of 3.32, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-[benzyl(methyl)amino]-2-cyano-N-cyclohexyl-N-methylprop-2-enamide is sourced from PubChem (CID 108830342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).