(Z)-2-cyano-3-(cyclododecylamino)-N-(2,6-diethylphenyl)prop-2-enamide

C26H39N3O — CID 108849268

IUPAC(Z)-2-cyano-3-(cyclododecylamino)-N-(2,6-diethylphenyl)prop-2-enamide
SMILESCCc1cccc(CC)c1NC(=O)/C(C#N)=C\NC1CCCCCCCCCCC1
InChIInChI=1S/C26H39N3O/c1-3-21-15-14-16-22(4-2)25(21)29-26(30)23(19-27)20-28-24-17-12-10-8-6-5-7-9-11-13-18-24/h14-16,20,24,28H,3-13,17-18H2,1-2H3,(H,29,30)/b23-20-
InChIKeyGCAZKPSZYZWJFR-ATJXCDBQSA-N
MW409.62 g/mol
LogP6.42
Rot. Bonds6

About (Z)-2-cyano-3-(cyclododecylamino)-N-(2,6-diethylphenyl)prop-2-enamide

(Z)-2-cyano-3-(cyclododecylamino)-N-(2,6-diethylphenyl)prop-2-enamide (PubChem CID 108849268) has the molecular formula C26H39N3O and a molecular weight of 409.62 g/mol. Its IUPAC name is (Z)-2-cyano-3-(cyclododecylamino)-N-(2,6-diethylphenyl)prop-2-enamide.

Molecular Properties

Compound Name(Z)-2-cyano-3-(cyclododecylamino)-N-(2,6-diethylphenyl)prop-2-enamide
PubChem CID108849268
Molecular FormulaC26H39N3O
Molecular Weight409.62 g/mol
Exact Mass409.31
IUPAC Name(Z)-2-cyano-3-(cyclododecylamino)-N-(2,6-diethylphenyl)prop-2-enamide
SMILESCCc1cccc(CC)c1NC(=O)/C(C#N)=C\NC1CCCCCCCCCCC1
InChIInChI=1S/C26H39N3O/c1-3-21-15-14-16-22(4-2)25(21)29-26(30)23(19-27)20-28-24-17-12-10-8-6-5-7-9-11-13-18-24/h14-16,20,24,28H,3-13,17-18H2,1-2H3,(H,29,30)/b23-20-
InChIKeyGCAZKPSZYZWJFR-ATJXCDBQSA-N
XLogP6.42
TPSA64.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.62
LogP ≤ 56.42
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-3-(cyclohexylamino)-N-(2,6-diethylphenyl)prop-2-enamide
CID 108849184
(Z)-2-cyano-N-cyclohexyl-3-(2,6-diethylanilino)prop-2-enamide
CID 108831412
(Z)-2-cyano-3-(cyclohexylamino)-N-(3-hydroxyphenyl)prop-2-enamide
CID 108816837
(Z)-2-cyano-3-[(1,1-dioxothiolan-3-yl)amino]-N-(2-ethyl-6-methylphenyl)prop-2-enamide
CID 108850838
(Z)-2-cyano-3-(cyclopentylamino)-N-(3-methylphenyl)prop-2-enamide
CID 108858510
(Z)-2-cyano-N-(2,6-diethylphenyl)-3-(2,6-dimethylpiperidin-1-yl)prop-2-enamide
CID 108849327
(Z)-N-(2-chlorophenyl)-2-cyano-3-(cyclohexylamino)prop-2-enamide
CID 108824294
3-[[(Z)-2-cyano-3-(cycloheptylamino)prop-2-enoyl]amino]benzoic acid
CID 108816303
(Z)-2-cyano-3-(cycloheptylamino)-N-[2-(trifluoromethyl)phenyl]prop-2-enamide
CID 108823015
(Z)-2-cyano-3-(cycloheptylamino)-N-(4-methoxyphenyl)prop-2-enamide
CID 108828602
methyl 2-[[(Z)-2-cyano-3-(cycloheptylamino)prop-2-enoyl]amino]benzoate
CID 108851634
(Z)-3-(4-aminoanilino)-2-cyano-N-(2,6-diethylphenyl)prop-2-enamide
CID 108849148

Frequently Asked Questions

What is the IUPAC name of (Z)-2-cyano-3-(cyclododecylamino)-N-(2,6-diethylphenyl)prop-2-enamide?
The IUPAC name of (Z)-2-cyano-3-(cyclododecylamino)-N-(2,6-diethylphenyl)prop-2-enamide (CID 108849268) is (Z)-2-cyano-3-(cyclododecylamino)-N-(2,6-diethylphenyl)prop-2-enamide.
What is the SMILES notation for (Z)-2-cyano-3-(cyclododecylamino)-N-(2,6-diethylphenyl)prop-2-enamide?
The canonical SMILES for (Z)-2-cyano-3-(cyclododecylamino)-N-(2,6-diethylphenyl)prop-2-enamide is CCc1cccc(CC)c1NC(=O)/C(C#N)=C\NC1CCCCCCCCCCC1.
What is the InChIKey of (Z)-2-cyano-3-(cyclododecylamino)-N-(2,6-diethylphenyl)prop-2-enamide?
The InChIKey is GCAZKPSZYZWJFR-ATJXCDBQSA-N. The full InChI is InChI=1S/C26H39N3O/c1-3-21-15-14-16-22(4-2)25(21)29-26(30)23(19-27)20-28-24-17-12-10-8-6-5-7-9-11-13-18-24/h14-16,20,24,28H,3-13,17-18H2,1-2H3,(H,29,30)/b23-20-.
What are the key properties of (Z)-2-cyano-3-(cyclododecylamino)-N-(2,6-diethylphenyl)prop-2-enamide?
(Z)-2-cyano-3-(cyclododecylamino)-N-(2,6-diethylphenyl)prop-2-enamide has a molecular weight of 409.62 g/mol, XLogP of 6.42, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-cyano-3-(cyclododecylamino)-N-(2,6-diethylphenyl)prop-2-enamide is sourced from PubChem (CID 108849268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).