(Z)-2-cyano-N-cyclohexyl-N-methyl-3-(3-methylbutylamino)prop-2-enamide

C16H27N3O — CID 108830504

IUPAC(Z)-2-cyano-N-cyclohexyl-N-methyl-3-(3-methylbutylamino)prop-2-enamide
SMILESCC(C)CCN/C=C(/C#N)C(=O)N(C)C1CCCCC1
InChIInChI=1S/C16H27N3O/c1-13(2)9-10-18-12-14(11-17)16(20)19(3)15-7-5-4-6-8-15/h12-13,15,18H,4-10H2,1-3H3/b14-12-
InChIKeyKXHYRSBSNCUMSE-OWBHPGMISA-N
MW277.41 g/mol
LogP2.82
Rot. Bonds6

About (Z)-2-cyano-N-cyclohexyl-N-methyl-3-(3-methylbutylamino)prop-2-enamide

(Z)-2-cyano-N-cyclohexyl-N-methyl-3-(3-methylbutylamino)prop-2-enamide (PubChem CID 108830504) has the molecular formula C16H27N3O and a molecular weight of 277.41 g/mol. Its IUPAC name is (Z)-2-cyano-N-cyclohexyl-N-methyl-3-(3-methylbutylamino)prop-2-enamide.

Molecular Properties

Compound Name(Z)-2-cyano-N-cyclohexyl-N-methyl-3-(3-methylbutylamino)prop-2-enamide
PubChem CID108830504
Molecular FormulaC16H27N3O
Molecular Weight277.41 g/mol
Exact Mass277.22
IUPAC Name(Z)-2-cyano-N-cyclohexyl-N-methyl-3-(3-methylbutylamino)prop-2-enamide
SMILESCC(C)CCN/C=C(/C#N)C(=O)N(C)C1CCCCC1
InChIInChI=1S/C16H27N3O/c1-13(2)9-10-18-12-14(11-17)16(20)19(3)15-7-5-4-6-8-15/h12-13,15,18H,4-10H2,1-3H3/b14-12-
InChIKeyKXHYRSBSNCUMSE-OWBHPGMISA-N
XLogP2.82
TPSA56.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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-propan-2-yloxypropylamino)prop-2-enamide
CID 108830394
(Z)-2-cyano-N-cyclohexyl-3-(2,2-dimethoxyethylamino)-N-methylprop-2-enamide
CID 108830445
(Z)-3-(3-butoxypropylamino)-2-cyano-N-cyclohexyl-N-methylprop-2-enamide
CID 108830263
ethyl 3-[[(Z)-2-cyano-3-[cyclohexyl(methyl)amino]-3-oxoprop-1-enyl]amino]propanoate
CID 108830528
(Z)-3-(butan-2-ylamino)-2-cyano-N-cyclohexyl-N-methylprop-2-enamide
CID 108830256
(Z)-2-cyano-N-cyclohexyl-3-(2,2-diethoxyethylamino)-N-methylprop-2-enamide
CID 108830565
(Z)-2-cyano-N-cyclohexyl-3-(cyclopropylamino)-N-methylprop-2-enamide
CID 108830473
(Z)-2-cyano-N-cyclohexyl-3-[(4-methoxyphenyl)methylamino]-N-methylprop-2-enamide
CID 108830273
(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-bromophenyl)methylamino]-2-cyano-N-cyclohexyl-N-methylprop-2-enamide
CID 108830541

Frequently Asked Questions

What is the IUPAC name of (Z)-2-cyano-N-cyclohexyl-N-methyl-3-(3-methylbutylamino)prop-2-enamide?
The IUPAC name of (Z)-2-cyano-N-cyclohexyl-N-methyl-3-(3-methylbutylamino)prop-2-enamide (CID 108830504) is (Z)-2-cyano-N-cyclohexyl-N-methyl-3-(3-methylbutylamino)prop-2-enamide.
What is the SMILES notation for (Z)-2-cyano-N-cyclohexyl-N-methyl-3-(3-methylbutylamino)prop-2-enamide?
The canonical SMILES for (Z)-2-cyano-N-cyclohexyl-N-methyl-3-(3-methylbutylamino)prop-2-enamide is CC(C)CCN/C=C(/C#N)C(=O)N(C)C1CCCCC1.
What is the InChIKey of (Z)-2-cyano-N-cyclohexyl-N-methyl-3-(3-methylbutylamino)prop-2-enamide?
The InChIKey is KXHYRSBSNCUMSE-OWBHPGMISA-N. The full InChI is InChI=1S/C16H27N3O/c1-13(2)9-10-18-12-14(11-17)16(20)19(3)15-7-5-4-6-8-15/h12-13,15,18H,4-10H2,1-3H3/b14-12-.
What are the key properties of (Z)-2-cyano-N-cyclohexyl-N-methyl-3-(3-methylbutylamino)prop-2-enamide?
(Z)-2-cyano-N-cyclohexyl-N-methyl-3-(3-methylbutylamino)prop-2-enamide has a molecular weight of 277.41 g/mol, XLogP of 2.82, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-cyano-N-cyclohexyl-N-methyl-3-(3-methylbutylamino)prop-2-enamide is sourced from PubChem (CID 108830504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).