(Z)-N,N'-dicyclohexylbut-2-enediamide

C32H52N4O4 — CID 139188308

IUPAC(Z)-N,N'-dicyclohexylbut-2-enediamide
SMILESO=C(/C=C\C(=O)NC1CCCCC1)NC1CCCCC1.O=C(/C=C\C(=O)NC1CCCCC1)NC1CCCCC1
InChIInChI=1S/2C16H26N2O2/c2*19-15(17-13-7-3-1-4-8-13)11-12-16(20)18-14-9-5-2-6-10-14/h2*11-14H,1-10H2,(H,17,19)(H,18,20)/b2*12-11-
InChIKeyIOWFRDWIHYMBKQ-ZVMXUFIRSA-N
MW556.79 g/mol
LogP4.88
Rot. Bonds8

About (Z)-N,N'-dicyclohexylbut-2-enediamide

(Z)-N,N'-dicyclohexylbut-2-enediamide (PubChem CID 139188308) has the molecular formula C32H52N4O4 and a molecular weight of 556.79 g/mol. Its IUPAC name is (Z)-N,N'-dicyclohexylbut-2-enediamide.

Molecular Properties

Compound Name(Z)-N,N'-dicyclohexylbut-2-enediamide
PubChem CID139188308
Molecular FormulaC32H52N4O4
Molecular Weight556.79 g/mol
Exact Mass556.40
IUPAC Name(Z)-N,N'-dicyclohexylbut-2-enediamide
SMILESO=C(/C=C\C(=O)NC1CCCCC1)NC1CCCCC1.O=C(/C=C\C(=O)NC1CCCCC1)NC1CCCCC1
InChIInChI=1S/2C16H26N2O2/c2*19-15(17-13-7-3-1-4-8-13)11-12-16(20)18-14-9-5-2-6-10-14/h2*11-14H,1-10H2,(H,17,19)(H,18,20)/b2*12-11-
InChIKeyIOWFRDWIHYMBKQ-ZVMXUFIRSA-N
XLogP4.88
TPSA116.40 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500556.79
LogP ≤ 54.88
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (Z)-N,N'-dicyclohexylbut-2-enediamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-cyclohexyl-3-cyclopentylprop-2-enamide
CID 141179456
N-cyclohexylhexa-2,4-dienamide
CID 71382981
N-cyclodecylprop-2-enamide
CID 18400354
(E)-4-bromo-N-cyclopentylbut-2-enamide
CID 153266331
N-cycloheptyl-3-methylbut-2-enamide
CID 51109528
(E)-N-cycloheptyl-3-phenylprop-2-enamide
CID 6027758
(E)-N-cyclohexyl-4,4-dimethylhex-2-enamide
CID 166823863
(E)-N-cyclohexyl-3-methyl-4-oxopent-2-enamide
CID 10878394
1-cyclobutyl-3-cyclohexylurea
CID 17217147
N-cyclohexylcarbamoyl chloride
CID 22252134
N-cycloheptyl-N'-cyclopentylpropanediamide
CID 108942189
N,N'-di(cycloheptyl)-2,3-dihydroxybutanediamide
CID 141089668

Frequently Asked Questions

What is the IUPAC name of (Z)-N,N'-dicyclohexylbut-2-enediamide?
The IUPAC name of (Z)-N,N'-dicyclohexylbut-2-enediamide (CID 139188308) is (Z)-N,N'-dicyclohexylbut-2-enediamide.
What is the SMILES notation for (Z)-N,N'-dicyclohexylbut-2-enediamide?
The canonical SMILES for (Z)-N,N'-dicyclohexylbut-2-enediamide is O=C(/C=C\C(=O)NC1CCCCC1)NC1CCCCC1.O=C(/C=C\C(=O)NC1CCCCC1)NC1CCCCC1.
What is the InChIKey of (Z)-N,N'-dicyclohexylbut-2-enediamide?
The InChIKey is IOWFRDWIHYMBKQ-ZVMXUFIRSA-N. The full InChI is InChI=1S/2C16H26N2O2/c2*19-15(17-13-7-3-1-4-8-13)11-12-16(20)18-14-9-5-2-6-10-14/h2*11-14H,1-10H2,(H,17,19)(H,18,20)/b2*12-11-.
What are the key properties of (Z)-N,N'-dicyclohexylbut-2-enediamide?
(Z)-N,N'-dicyclohexylbut-2-enediamide has a molecular weight of 556.79 g/mol, XLogP of 4.88, 8 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N,N'-dicyclohexylbut-2-enediamide is sourced from PubChem (CID 139188308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).