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

C16H27N3O — CID 108830427

IUPAC(Z)-3-[butyl(methyl)amino]-2-cyano-N-cyclohexyl-N-methylprop-2-enamide
SMILESCCCCN(C)/C=C(/C#N)C(=O)N(C)C1CCCCC1
InChIInChI=1S/C16H27N3O/c1-4-5-11-18(2)13-14(12-17)16(20)19(3)15-9-7-6-8-10-15/h13,15H,4-11H2,1-3H3/b14-13-
InChIKeyLWKNOCOBAVFJIF-YPKPFQOOSA-N
MW277.41 g/mol
LogP2.92
Rot. Bonds6

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

(Z)-3-[butyl(methyl)amino]-2-cyano-N-cyclohexyl-N-methylprop-2-enamide (PubChem CID 108830427) has the molecular formula C16H27N3O and a molecular weight of 277.41 g/mol. Its IUPAC name is (Z)-3-[butyl(methyl)amino]-2-cyano-N-cyclohexyl-N-methylprop-2-enamide.

Molecular Properties

Compound Name(Z)-3-[butyl(methyl)amino]-2-cyano-N-cyclohexyl-N-methylprop-2-enamide
PubChem CID108830427
Molecular FormulaC16H27N3O
Molecular Weight277.41 g/mol
Exact Mass277.22
IUPAC Name(Z)-3-[butyl(methyl)amino]-2-cyano-N-cyclohexyl-N-methylprop-2-enamide
SMILESCCCCN(C)/C=C(/C#N)C(=O)N(C)C1CCCCC1
InChIInChI=1S/C16H27N3O/c1-4-5-11-18(2)13-14(12-17)16(20)19(3)15-9-7-6-8-10-15/h13,15H,4-11H2,1-3H3/b14-13-
InChIKeyLWKNOCOBAVFJIF-YPKPFQOOSA-N
XLogP2.92
TPSA47.34 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 52.92
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(methyl)amino]-2-cyano-N-cyclohexyl-N-methylprop-2-enamide
CID 108830342
(Z)-2-cyano-N-cyclohexyl-N-methyl-3-(propylamino)prop-2-enamide
CID 108830218
(Z)-3-(3-butoxypropylamino)-2-cyano-N-cyclohexyl-N-methylprop-2-enamide
CID 108830263
(Z)-3-(butan-2-ylamino)-2-cyano-N-cyclohexyl-N-methylprop-2-enamide
CID 108830256
(Z)-2-cyano-N-cyclohexyl-3-[2-(dimethylamino)ethyl-(1,1-dioxothiolan-3-yl)amino]-N-methylprop-2-enamide
CID 108830413
(Z)-2-cyano-N-cyclohexyl-3-(4-ethylanilino)-N-methylprop-2-enamide
CID 108830370
(Z)-2-cyano-N-cyclohexyl-3-(cyclopropylamino)-N-methylprop-2-enamide
CID 108830473
(Z)-2-(4-acetylpiperazine-1-carbonyl)-3-[butyl(methyl)amino]prop-2-enenitrile
CID 108841199
(Z)-2-cyano-N-cyclohexyl-3-(2,2-diethoxyethylamino)-N-methylprop-2-enamide
CID 108830565
(Z)-2-cyano-N-cyclohexyl-N-methyl-3-(4-methylpiperidin-1-yl)prop-2-enamide
CID 108830249
(Z)-2-cyano-N-cyclohexyl-N-methyl-3-(3-methylbutylamino)prop-2-enamide
CID 108830504
(Z)-2-cyano-N-cyclohexyl-3-(2,2-dimethoxyethylamino)-N-methylprop-2-enamide
CID 108830445

Frequently Asked Questions

What is the IUPAC name of (Z)-3-[butyl(methyl)amino]-2-cyano-N-cyclohexyl-N-methylprop-2-enamide?
The IUPAC name of (Z)-3-[butyl(methyl)amino]-2-cyano-N-cyclohexyl-N-methylprop-2-enamide (CID 108830427) is (Z)-3-[butyl(methyl)amino]-2-cyano-N-cyclohexyl-N-methylprop-2-enamide.
What is the SMILES notation for (Z)-3-[butyl(methyl)amino]-2-cyano-N-cyclohexyl-N-methylprop-2-enamide?
The canonical SMILES for (Z)-3-[butyl(methyl)amino]-2-cyano-N-cyclohexyl-N-methylprop-2-enamide is CCCCN(C)/C=C(/C#N)C(=O)N(C)C1CCCCC1.
What is the InChIKey of (Z)-3-[butyl(methyl)amino]-2-cyano-N-cyclohexyl-N-methylprop-2-enamide?
The InChIKey is LWKNOCOBAVFJIF-YPKPFQOOSA-N. The full InChI is InChI=1S/C16H27N3O/c1-4-5-11-18(2)13-14(12-17)16(20)19(3)15-9-7-6-8-10-15/h13,15H,4-11H2,1-3H3/b14-13-.
What are the key properties of (Z)-3-[butyl(methyl)amino]-2-cyano-N-cyclohexyl-N-methylprop-2-enamide?
(Z)-3-[butyl(methyl)amino]-2-cyano-N-cyclohexyl-N-methylprop-2-enamide has a molecular weight of 277.41 g/mol, XLogP of 2.92, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-[butyl(methyl)amino]-2-cyano-N-cyclohexyl-N-methylprop-2-enamide is sourced from PubChem (CID 108830427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).