N,N-dicyclohexylbut-2-enamide

C16H27NO — CID 521704

IUPACN,N-dicyclohexylbut-2-enamide
SMILESCC=CC(=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
InChIKeyYPAZZFZYOAKJJY-UHFFFAOYSA-N
MW249.40 g/mol
LogP4.06
Rot. Bonds3

About N,N-dicyclohexylbut-2-enamide

N,N-dicyclohexylbut-2-enamide (PubChem CID 521704) has the molecular formula C16H27NO and a molecular weight of 249.40 g/mol. Its IUPAC name is N,N-dicyclohexylbut-2-enamide.

Molecular Properties

Compound NameN,N-dicyclohexylbut-2-enamide
PubChem CID521704
Molecular FormulaC16H27NO
Molecular Weight249.40 g/mol
Exact Mass249.21
IUPAC NameN,N-dicyclohexylbut-2-enamide
SMILESCC=CC(=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
InChIKeyYPAZZFZYOAKJJY-UHFFFAOYSA-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 N,N-dicyclohexylbut-2-enamide?
The IUPAC name of N,N-dicyclohexylbut-2-enamide (CID 521704) is N,N-dicyclohexylbut-2-enamide.
What is the SMILES notation for N,N-dicyclohexylbut-2-enamide?
The canonical SMILES for N,N-dicyclohexylbut-2-enamide is CC=CC(=O)N(C1CCCCC1)C1CCCCC1.
What is the InChIKey of N,N-dicyclohexylbut-2-enamide?
The InChIKey is YPAZZFZYOAKJJY-UHFFFAOYSA-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.
What are the key properties of N,N-dicyclohexylbut-2-enamide?
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 N,N-dicyclohexylbut-2-enamide is sourced from PubChem (CID 521704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).