N-butyl-N-(cyclohexen-1-yl)-2-phenoxyacetamide

C18H25NO2 — CID 13169271

IUPACN-butyl-N-(cyclohexen-1-yl)-2-phenoxyacetamide
SMILESCCCCN(C(=O)COc1ccccc1)C1=CCCCC1
InChIInChI=1S/C18H25NO2/c1-2-3-14-19(16-10-6-4-7-11-16)18(20)15-21-17-12-8-5-9-13-17/h5,8-10,12-13H,2-4,6-7,11,14-15H2,1H3
InChIKeyUZKKVWLYJUUJJG-UHFFFAOYSA-N
MW287.40 g/mol
LogP4.15
Rot. Bonds7

About N-butyl-N-(cyclohexen-1-yl)-2-phenoxyacetamide

N-butyl-N-(cyclohexen-1-yl)-2-phenoxyacetamide (PubChem CID 13169271) has the molecular formula C18H25NO2 and a molecular weight of 287.40 g/mol. Its IUPAC name is N-butyl-N-(cyclohexen-1-yl)-2-phenoxyacetamide.

Molecular Properties

Compound NameN-butyl-N-(cyclohexen-1-yl)-2-phenoxyacetamide
PubChem CID13169271
Molecular FormulaC18H25NO2
Molecular Weight287.40 g/mol
Exact Mass287.19
IUPAC NameN-butyl-N-(cyclohexen-1-yl)-2-phenoxyacetamide
SMILESCCCCN(C(=O)COc1ccccc1)C1=CCCCC1
InChIInChI=1S/C18H25NO2/c1-2-3-14-19(16-10-6-4-7-11-16)18(20)15-21-17-12-8-5-9-13-17/h5,8-10,12-13H,2-4,6-7,11,14-15H2,1H3
InChIKeyUZKKVWLYJUUJJG-UHFFFAOYSA-N
XLogP4.15
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.40
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-butyl-N-(cyclohexen-1-yl)-2-phenoxyacetamide?
The IUPAC name of N-butyl-N-(cyclohexen-1-yl)-2-phenoxyacetamide (CID 13169271) is N-butyl-N-(cyclohexen-1-yl)-2-phenoxyacetamide.
What is the SMILES notation for N-butyl-N-(cyclohexen-1-yl)-2-phenoxyacetamide?
The canonical SMILES for N-butyl-N-(cyclohexen-1-yl)-2-phenoxyacetamide is CCCCN(C(=O)COc1ccccc1)C1=CCCCC1.
What is the InChIKey of N-butyl-N-(cyclohexen-1-yl)-2-phenoxyacetamide?
The InChIKey is UZKKVWLYJUUJJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO2/c1-2-3-14-19(16-10-6-4-7-11-16)18(20)15-21-17-12-8-5-9-13-17/h5,8-10,12-13H,2-4,6-7,11,14-15H2,1H3.
What are the key properties of N-butyl-N-(cyclohexen-1-yl)-2-phenoxyacetamide?
N-butyl-N-(cyclohexen-1-yl)-2-phenoxyacetamide has a molecular weight of 287.40 g/mol, XLogP of 4.15, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-(cyclohexen-1-yl)-2-phenoxyacetamide is sourced from PubChem (CID 13169271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).