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

C14H23N3O — CID 108830218

IUPAC(Z)-2-cyano-N-cyclohexyl-N-methyl-3-(propylamino)prop-2-enamide
SMILESCCCN/C=C(/C#N)C(=O)N(C)C1CCCCC1
InChIInChI=1S/C14H23N3O/c1-3-9-16-11-12(10-15)14(18)17(2)13-7-5-4-6-8-13/h11,13,16H,3-9H2,1-2H3/b12-11-
InChIKeyAYBHNXDMOMOIDE-QXMHVHEDSA-N
MW249.36 g/mol
LogP2.18
Rot. Bonds5

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

(Z)-2-cyano-N-cyclohexyl-N-methyl-3-(propylamino)prop-2-enamide (PubChem CID 108830218) has the molecular formula C14H23N3O and a molecular weight of 249.36 g/mol. Its IUPAC name is (Z)-2-cyano-N-cyclohexyl-N-methyl-3-(propylamino)prop-2-enamide.

Molecular Properties

Compound Name(Z)-2-cyano-N-cyclohexyl-N-methyl-3-(propylamino)prop-2-enamide
PubChem CID108830218
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC Name(Z)-2-cyano-N-cyclohexyl-N-methyl-3-(propylamino)prop-2-enamide
SMILESCCCN/C=C(/C#N)C(=O)N(C)C1CCCCC1
InChIInChI=1S/C14H23N3O/c1-3-9-16-11-12(10-15)14(18)17(2)13-7-5-4-6-8-13/h11,13,16H,3-9H2,1-2H3/b12-11-
InChIKeyAYBHNXDMOMOIDE-QXMHVHEDSA-N
XLogP2.18
TPSA56.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 52.18
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)-3-(3-butoxypropylamino)-2-cyano-N-cyclohexyl-N-methylprop-2-enamide
CID 108830263
(Z)-2-cyano-N-cyclohexyl-N-methyl-3-(3-methylbutylamino)prop-2-enamide
CID 108830504
ethyl 3-[[(Z)-2-cyano-3-[cyclohexyl(methyl)amino]-3-oxoprop-1-enyl]amino]propanoate
CID 108830528
(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-diethoxyethylamino)-N-methylprop-2-enamide
CID 108830565
(Z)-2-cyano-N-cyclohexyl-3-(2,2-dimethoxyethylamino)-N-methylprop-2-enamide
CID 108830445
(Z)-2-cyano-N-cyclohexyl-3-(cyclopropylamino)-N-methylprop-2-enamide
CID 108830473
(Z)-3-(butan-2-ylamino)-2-cyano-N-cyclohexyl-N-methylprop-2-enamide
CID 108830256
(Z)-2-cyano-N-cyclohexyl-3-(4-ethylanilino)-N-methylprop-2-enamide
CID 108830370
(Z)-3-[butyl(methyl)amino]-2-cyano-N-cyclohexyl-N-methylprop-2-enamide
CID 108830427
(Z)-2-cyano-N-cyclohexyl-3-[(4-methoxyphenyl)methylamino]-N-methylprop-2-enamide
CID 108830273
(Z)-2-cyano-N-cyclohexyl-3-[(1,1-dioxothiolan-3-yl)amino]-N-methylprop-2-enamide
CID 108830410

Frequently Asked Questions

What is the IUPAC name of (Z)-2-cyano-N-cyclohexyl-N-methyl-3-(propylamino)prop-2-enamide?
The IUPAC name of (Z)-2-cyano-N-cyclohexyl-N-methyl-3-(propylamino)prop-2-enamide (CID 108830218) is (Z)-2-cyano-N-cyclohexyl-N-methyl-3-(propylamino)prop-2-enamide.
What is the SMILES notation for (Z)-2-cyano-N-cyclohexyl-N-methyl-3-(propylamino)prop-2-enamide?
The canonical SMILES for (Z)-2-cyano-N-cyclohexyl-N-methyl-3-(propylamino)prop-2-enamide is CCCN/C=C(/C#N)C(=O)N(C)C1CCCCC1.
What is the InChIKey of (Z)-2-cyano-N-cyclohexyl-N-methyl-3-(propylamino)prop-2-enamide?
The InChIKey is AYBHNXDMOMOIDE-QXMHVHEDSA-N. The full InChI is InChI=1S/C14H23N3O/c1-3-9-16-11-12(10-15)14(18)17(2)13-7-5-4-6-8-13/h11,13,16H,3-9H2,1-2H3/b12-11-.
What are the key properties of (Z)-2-cyano-N-cyclohexyl-N-methyl-3-(propylamino)prop-2-enamide?
(Z)-2-cyano-N-cyclohexyl-N-methyl-3-(propylamino)prop-2-enamide has a molecular weight of 249.36 g/mol, XLogP of 2.18, 5 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-(propylamino)prop-2-enamide is sourced from PubChem (CID 108830218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).