(Z)-2-cyano-N-cyclododecyl-3-[(2-methylcyclohexyl)amino]prop-2-enamide

C23H39N3O — CID 108862697

IUPAC(Z)-2-cyano-N-cyclododecyl-3-[(2-methylcyclohexyl)amino]prop-2-enamide
SMILESCC1CCCCC1N/C=C(/C#N)C(=O)NC1CCCCCCCCCCC1
InChIInChI=1S/C23H39N3O/c1-19-13-11-12-16-22(19)25-18-20(17-24)23(27)26-21-14-9-7-5-3-2-4-6-8-10-15-21/h18-19,21-22,25H,2-16H2,1H3,(H,26,27)/b20-18-
InChIKeyONWZTUWIHWFEFF-ZZEZOPTASA-N
MW373.59 g/mol
LogP5.35
Rot. Bonds4

About (Z)-2-cyano-N-cyclododecyl-3-[(2-methylcyclohexyl)amino]prop-2-enamide

(Z)-2-cyano-N-cyclododecyl-3-[(2-methylcyclohexyl)amino]prop-2-enamide (PubChem CID 108862697) has the molecular formula C23H39N3O and a molecular weight of 373.59 g/mol. Its IUPAC name is (Z)-2-cyano-N-cyclododecyl-3-[(2-methylcyclohexyl)amino]prop-2-enamide.

Molecular Properties

Compound Name(Z)-2-cyano-N-cyclododecyl-3-[(2-methylcyclohexyl)amino]prop-2-enamide
PubChem CID108862697
Molecular FormulaC23H39N3O
Molecular Weight373.59 g/mol
Exact Mass373.31
IUPAC Name(Z)-2-cyano-N-cyclododecyl-3-[(2-methylcyclohexyl)amino]prop-2-enamide
SMILESCC1CCCCC1N/C=C(/C#N)C(=O)NC1CCCCCCCCCCC1
InChIInChI=1S/C23H39N3O/c1-19-13-11-12-16-22(19)25-18-20(17-24)23(27)26-21-14-9-7-5-3-2-4-6-8-10-15-21/h18-19,21-22,25H,2-16H2,1H3,(H,26,27)/b20-18-
InChIKeyONWZTUWIHWFEFF-ZZEZOPTASA-N
XLogP5.35
TPSA64.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.59
LogP ≤ 55.35
H-Bond Donors ≤ 52
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-3-(cyclopropylamino)prop-2-enamide
CID 108831586
(Z)-2-cyano-N-cyclohexyl-3-(methylamino)prop-2-enamide
CID 108831518
(Z)-N-butan-2-yl-2-cyano-3-[(2-methylcyclohexyl)amino]prop-2-enamide
CID 108834476
(Z)-2-cyano-N-cyclododecyl-3-(2-methylpropylamino)prop-2-enamide
CID 108862557
2-[[(Z)-2-cyano-3-(cyclohexylamino)-3-oxoprop-1-enyl]amino]propanoic acid
CID 108831400
(Z)-2-cyano-N-cyclohexyl-3-(pyrimidin-2-ylamino)prop-2-enamide
CID 108831470
(Z)-2-cyano-3-[(2-methylcyclohexyl)amino]-N-(1-phenylethyl)prop-2-enamide
CID 108840058
(Z)-2-cyano-N-[1-(4-ethylphenyl)ethyl]-3-[(2-methylcyclohexyl)amino]prop-2-enamide
CID 108848582
(Z)-3-(butan-2-ylamino)-2-cyano-N-cyclohexylprop-2-enamide
CID 108831373
(Z)-3-(2-chloroethylamino)-2-cyano-N-cyclohexylprop-2-enamide
CID 108831425
(Z)-2-cyano-N-cyclododecyl-3-[2-(dimethylamino)ethylamino]prop-2-enamide
CID 108862743
(Z)-2-cyano-N-[(4-methoxyphenyl)methyl]-3-[(2-methylcyclohexyl)amino]prop-2-enamide
CID 108840798

Frequently Asked Questions

What is the IUPAC name of (Z)-2-cyano-N-cyclododecyl-3-[(2-methylcyclohexyl)amino]prop-2-enamide?
The IUPAC name of (Z)-2-cyano-N-cyclododecyl-3-[(2-methylcyclohexyl)amino]prop-2-enamide (CID 108862697) is (Z)-2-cyano-N-cyclododecyl-3-[(2-methylcyclohexyl)amino]prop-2-enamide.
What is the SMILES notation for (Z)-2-cyano-N-cyclododecyl-3-[(2-methylcyclohexyl)amino]prop-2-enamide?
The canonical SMILES for (Z)-2-cyano-N-cyclododecyl-3-[(2-methylcyclohexyl)amino]prop-2-enamide is CC1CCCCC1N/C=C(/C#N)C(=O)NC1CCCCCCCCCCC1.
What is the InChIKey of (Z)-2-cyano-N-cyclododecyl-3-[(2-methylcyclohexyl)amino]prop-2-enamide?
The InChIKey is ONWZTUWIHWFEFF-ZZEZOPTASA-N. The full InChI is InChI=1S/C23H39N3O/c1-19-13-11-12-16-22(19)25-18-20(17-24)23(27)26-21-14-9-7-5-3-2-4-6-8-10-15-21/h18-19,21-22,25H,2-16H2,1H3,(H,26,27)/b20-18-.
What are the key properties of (Z)-2-cyano-N-cyclododecyl-3-[(2-methylcyclohexyl)amino]prop-2-enamide?
(Z)-2-cyano-N-cyclododecyl-3-[(2-methylcyclohexyl)amino]prop-2-enamide has a molecular weight of 373.59 g/mol, XLogP of 5.35, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-cyano-N-cyclododecyl-3-[(2-methylcyclohexyl)amino]prop-2-enamide is sourced from PubChem (CID 108862697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).