(Z)-3-(butan-2-ylamino)-2-cyano-N-cyclohexyl-N-methylprop-2-enamide

C15H25N3O — CID 108830256

IUPAC(Z)-3-(butan-2-ylamino)-2-cyano-N-cyclohexyl-N-methylprop-2-enamide
SMILESCCC(C)N/C=C(/C#N)C(=O)N(C)C1CCCCC1
InChIInChI=1S/C15H25N3O/c1-4-12(2)17-11-13(10-16)15(19)18(3)14-8-6-5-7-9-14/h11-12,14,17H,4-9H2,1-3H3/b13-11-
InChIKeyIOZVFLZIQJQFRQ-QBFSEMIESA-N
MW263.38 g/mol
LogP2.57
Rot. Bonds5

About (Z)-3-(butan-2-ylamino)-2-cyano-N-cyclohexyl-N-methylprop-2-enamide

(Z)-3-(butan-2-ylamino)-2-cyano-N-cyclohexyl-N-methylprop-2-enamide (PubChem CID 108830256) has the molecular formula C15H25N3O and a molecular weight of 263.38 g/mol. Its IUPAC name is (Z)-3-(butan-2-ylamino)-2-cyano-N-cyclohexyl-N-methylprop-2-enamide.

Molecular Properties

Compound Name(Z)-3-(butan-2-ylamino)-2-cyano-N-cyclohexyl-N-methylprop-2-enamide
PubChem CID108830256
Molecular FormulaC15H25N3O
Molecular Weight263.38 g/mol
Exact Mass263.20
IUPAC Name(Z)-3-(butan-2-ylamino)-2-cyano-N-cyclohexyl-N-methylprop-2-enamide
SMILESCCC(C)N/C=C(/C#N)C(=O)N(C)C1CCCCC1
InChIInChI=1S/C15H25N3O/c1-4-12(2)17-11-13(10-16)15(19)18(3)14-8-6-5-7-9-14/h11-12,14,17H,4-9H2,1-3H3/b13-11-
InChIKeyIOZVFLZIQJQFRQ-QBFSEMIESA-N
XLogP2.57
TPSA56.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 52.57
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)-2-cyano-N-cyclohexyl-N-methyl-3-(propylamino)prop-2-enamide
CID 108830218
(Z)-2-cyano-N-cyclohexyl-N-methyl-3-(3-methylbutylamino)prop-2-enamide
CID 108830504
(Z)-2-cyano-N-cyclohexyl-3-(cyclopropylamino)-N-methylprop-2-enamide
CID 108830473
(Z)-2-cyano-N-cyclohexyl-3-(2,2-diethoxyethylamino)-N-methylprop-2-enamide
CID 108830565
(Z)-3-(butan-2-ylamino)-2-cyano-N-cyclohexylprop-2-enamide
CID 108831373
(Z)-2-cyano-N-cyclohexyl-3-(2,2-dimethoxyethylamino)-N-methylprop-2-enamide
CID 108830445
(Z)-3-(2-butan-2-ylanilino)-2-cyano-N-cyclohexyl-N-methylprop-2-enamide
CID 108830512
(Z)-2-cyano-N-cyclohexyl-N-methyl-3-(3-propan-2-yloxypropylamino)prop-2-enamide
CID 108830394
(Z)-3-(butan-2-ylamino)-2-cyano-N-cyclopentylprop-2-enamide
CID 108835446
(Z)-2-cyano-N-cyclohexyl-3-(4-ethylanilino)-N-methylprop-2-enamide
CID 108830370
N-[(Z)-2-cyano-3-[cyclohexyl(methyl)amino]-3-oxoprop-1-enyl]piperidine-4-carboxamide
CID 108830488
(Z)-3-(3-butoxypropylamino)-2-cyano-N-cyclohexyl-N-methylprop-2-enamide
CID 108830263

Frequently Asked Questions

What is the IUPAC name of (Z)-3-(butan-2-ylamino)-2-cyano-N-cyclohexyl-N-methylprop-2-enamide?
The IUPAC name of (Z)-3-(butan-2-ylamino)-2-cyano-N-cyclohexyl-N-methylprop-2-enamide (CID 108830256) is (Z)-3-(butan-2-ylamino)-2-cyano-N-cyclohexyl-N-methylprop-2-enamide.
What is the SMILES notation for (Z)-3-(butan-2-ylamino)-2-cyano-N-cyclohexyl-N-methylprop-2-enamide?
The canonical SMILES for (Z)-3-(butan-2-ylamino)-2-cyano-N-cyclohexyl-N-methylprop-2-enamide is CCC(C)N/C=C(/C#N)C(=O)N(C)C1CCCCC1.
What is the InChIKey of (Z)-3-(butan-2-ylamino)-2-cyano-N-cyclohexyl-N-methylprop-2-enamide?
The InChIKey is IOZVFLZIQJQFRQ-QBFSEMIESA-N. The full InChI is InChI=1S/C15H25N3O/c1-4-12(2)17-11-13(10-16)15(19)18(3)14-8-6-5-7-9-14/h11-12,14,17H,4-9H2,1-3H3/b13-11-.
What are the key properties of (Z)-3-(butan-2-ylamino)-2-cyano-N-cyclohexyl-N-methylprop-2-enamide?
(Z)-3-(butan-2-ylamino)-2-cyano-N-cyclohexyl-N-methylprop-2-enamide has a molecular weight of 263.38 g/mol, XLogP of 2.57, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-(butan-2-ylamino)-2-cyano-N-cyclohexyl-N-methylprop-2-enamide is sourced from PubChem (CID 108830256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).