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

C16H26N2O2 — CID 11708919

IUPAC(E)-N,N'-dicyclohexylbut-2-enediamide
SMILESO=C(/C=C/C(=O)NC1CCCCC1)NC1CCCCC1
InChIInChI=1S/C16H26N2O2/c19-15(17-13-7-3-1-4-8-13)11-12-16(20)18-14-9-5-2-6-10-14/h11-14H,1-10H2,(H,17,19)(H,18,20)/b12-11+
InChIKeyCPDYQLDEBJQAPQ-VAWYXSNFSA-N
MW278.40 g/mol
LogP2.44
Rot. Bonds4

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

(E)-N,N'-dicyclohexylbut-2-enediamide (PubChem CID 11708919) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is (E)-N,N'-dicyclohexylbut-2-enediamide.

Molecular Properties

Compound Name(E)-N,N'-dicyclohexylbut-2-enediamide
PubChem CID11708919
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC Name(E)-N,N'-dicyclohexylbut-2-enediamide
SMILESO=C(/C=C/C(=O)NC1CCCCC1)NC1CCCCC1
InChIInChI=1S/C16H26N2O2/c19-15(17-13-7-3-1-4-8-13)11-12-16(20)18-14-9-5-2-6-10-14/h11-14H,1-10H2,(H,17,19)(H,18,20)/b12-11+
InChIKeyCPDYQLDEBJQAPQ-VAWYXSNFSA-N
XLogP2.44
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Acrylamide, N-cyclohexyl-
CID 137811
N-(2-acryloylamino-(1r,2r)-cyclohexyl)-acrylamine
CID 54249047
(E)-N-cyclohexylbut-2-enamide
CID 14316394
(E)-N-cyclohexyl-N-(cyclohexylcarbamoyl)but-2-enamide
CID 101542370
N-Cyclohexyl-N-(cyclohexylcarbamoyl)prop-2-enamide
CID 14644433
N,N'-(1s,2s)-1,2-cyclohexanediyl-bis-2-propenamide
CID 22855274
N-(4-aminocyclohexyl)prop-2-enamide
CID 62319252
(E)-N'-hexylbut-2-enediamide
CID 170849793
N-cyclohexylbut-2-enamide
CID 53667486
N,N-bis(prop-2-enyl)cyclohexanamine;prop-2-enamide;N-prop-2-enylcyclohexanamine;hydrochloride
CID 44149356
(E)-N,N'-dihexylbut-2-enediamide
CID 139188307
(Z)-N,N'-dicyclohexylbut-2-enediamide
CID 139188308

Frequently Asked Questions

What is the IUPAC name of (E)-N,N'-dicyclohexylbut-2-enediamide?
The IUPAC name of (E)-N,N'-dicyclohexylbut-2-enediamide (CID 11708919) is (E)-N,N'-dicyclohexylbut-2-enediamide.
What is the SMILES notation for (E)-N,N'-dicyclohexylbut-2-enediamide?
The canonical SMILES for (E)-N,N'-dicyclohexylbut-2-enediamide is O=C(/C=C/C(=O)NC1CCCCC1)NC1CCCCC1.
What is the InChIKey of (E)-N,N'-dicyclohexylbut-2-enediamide?
The InChIKey is CPDYQLDEBJQAPQ-VAWYXSNFSA-N. The full InChI is InChI=1S/C16H26N2O2/c19-15(17-13-7-3-1-4-8-13)11-12-16(20)18-14-9-5-2-6-10-14/h11-14H,1-10H2,(H,17,19)(H,18,20)/b12-11+.
What are the key properties of (E)-N,N'-dicyclohexylbut-2-enediamide?
(E)-N,N'-dicyclohexylbut-2-enediamide has a molecular weight of 278.40 g/mol, XLogP of 2.44, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N,N'-dicyclohexylbut-2-enediamide is sourced from PubChem (CID 11708919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).