(E)-N,N-dicyclohexylbut-2-enamide

C16H27NO — CID 5365926

IUPAC(E)-N,N-dicyclohexylbut-2-enamide
SMILESC/C=C/C(=O)N(C1CCCCC1)C1CCCCC1
InChIInChI=1S/C16H27NO/c1-2-9-16(18)17(14-10-5-3-6-11-14)15-12-7-4-8-13-15/h2,9,14-15H,3-8,10-13H2,1H3/b9-2+
InChIKeyYPAZZFZYOAKJJY-XNWCZRBMSA-N
MW249.40 g/mol
LogP4.06
Rot. Bonds3

About (E)-N,N-dicyclohexylbut-2-enamide

(E)-N,N-dicyclohexylbut-2-enamide (PubChem CID 5365926) has the molecular formula C16H27NO and a molecular weight of 249.40 g/mol. Its IUPAC name is (E)-N,N-dicyclohexylbut-2-enamide.

Molecular Properties

Compound Name(E)-N,N-dicyclohexylbut-2-enamide
PubChem CID5365926
Molecular FormulaC16H27NO
Molecular Weight249.40 g/mol
Exact Mass249.21
IUPAC Name(E)-N,N-dicyclohexylbut-2-enamide
SMILESC/C=C/C(=O)N(C1CCCCC1)C1CCCCC1
InChIInChI=1S/C16H27NO/c1-2-9-16(18)17(14-10-5-3-6-11-14)15-12-7-4-8-13-15/h2,9,14-15H,3-8,10-13H2,1H3/b9-2+
InChIKeyYPAZZFZYOAKJJY-XNWCZRBMSA-N
XLogP4.06
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.40
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-N,N-dicyclohexylbut-2-enamide?
The IUPAC name of (E)-N,N-dicyclohexylbut-2-enamide (CID 5365926) is (E)-N,N-dicyclohexylbut-2-enamide.
What is the SMILES notation for (E)-N,N-dicyclohexylbut-2-enamide?
The canonical SMILES for (E)-N,N-dicyclohexylbut-2-enamide is C/C=C/C(=O)N(C1CCCCC1)C1CCCCC1.
What is the InChIKey of (E)-N,N-dicyclohexylbut-2-enamide?
The InChIKey is YPAZZFZYOAKJJY-XNWCZRBMSA-N. The full InChI is InChI=1S/C16H27NO/c1-2-9-16(18)17(14-10-5-3-6-11-14)15-12-7-4-8-13-15/h2,9,14-15H,3-8,10-13H2,1H3/b9-2+.
What are the key properties of (E)-N,N-dicyclohexylbut-2-enamide?
(E)-N,N-dicyclohexylbut-2-enamide has a molecular weight of 249.40 g/mol, XLogP of 4.06, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N,N-dicyclohexylbut-2-enamide is sourced from PubChem (CID 5365926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).