3-(4-ethoxyanilino)cyclohex-2-en-1-one

C14H17NO2 — CID 4640755

IUPAC3-(4-ethoxyanilino)cyclohex-2-en-1-one
SMILESCCOc1ccc(NC2=CC(=O)CCC2)cc1
InChIInChI=1S/C14H17NO2/c1-2-17-14-8-6-11(7-9-14)15-12-4-3-5-13(16)10-12/h6-10,15H,2-5H2,1H3
InChIKeyNFCFGTYWNGTDAJ-UHFFFAOYSA-N
MW231.29 g/mol
LogP3.13
Rot. Bonds4

About 3-(4-ethoxyanilino)cyclohex-2-en-1-one

3-(4-ethoxyanilino)cyclohex-2-en-1-one (PubChem CID 4640755) has the molecular formula C14H17NO2 and a molecular weight of 231.29 g/mol. Its IUPAC name is 3-(4-ethoxyanilino)cyclohex-2-en-1-one.

Molecular Properties

Compound Name3-(4-ethoxyanilino)cyclohex-2-en-1-one
PubChem CID4640755
Molecular FormulaC14H17NO2
Molecular Weight231.29 g/mol
Exact Mass231.13
IUPAC Name3-(4-ethoxyanilino)cyclohex-2-en-1-one
SMILESCCOc1ccc(NC2=CC(=O)CCC2)cc1
InChIInChI=1S/C14H17NO2/c1-2-17-14-8-6-11(7-9-14)15-12-4-3-5-13(16)10-12/h6-10,15H,2-5H2,1H3
InChIKeyNFCFGTYWNGTDAJ-UHFFFAOYSA-N
XLogP3.13
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.29
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Phenacetin
CID 4754
Bucetin
CID 14130
N-(4-Methoxyphenyl)Acetamide
CID 5827
Dulcin
CID 9013
4,4'-Dimethoxydiphenylamine
CID 7571
Diamfenetide
CID 37384
Diacetamate
CID 17499
N-(4-Ethoxyphenyl)-3-oxobutanamide
CID 61053
4-Isopropoxydiphenylamine
CID 7574
4'-Methoxyacetoacetanilide
CID 21576
N-(4-Phenoxyphenyl)acetamide
CID 80579
5,5-Dimethyl-3-(4-methoxyanilino)-2-cyclohexen-1-one
CID 698514

Frequently Asked Questions

What is the IUPAC name of 3-(4-ethoxyanilino)cyclohex-2-en-1-one?
The IUPAC name of 3-(4-ethoxyanilino)cyclohex-2-en-1-one (CID 4640755) is 3-(4-ethoxyanilino)cyclohex-2-en-1-one.
What is the SMILES notation for 3-(4-ethoxyanilino)cyclohex-2-en-1-one?
The canonical SMILES for 3-(4-ethoxyanilino)cyclohex-2-en-1-one is CCOc1ccc(NC2=CC(=O)CCC2)cc1.
What is the InChIKey of 3-(4-ethoxyanilino)cyclohex-2-en-1-one?
The InChIKey is NFCFGTYWNGTDAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO2/c1-2-17-14-8-6-11(7-9-14)15-12-4-3-5-13(16)10-12/h6-10,15H,2-5H2,1H3.
What are the key properties of 3-(4-ethoxyanilino)cyclohex-2-en-1-one?
3-(4-ethoxyanilino)cyclohex-2-en-1-one has a molecular weight of 231.29 g/mol, XLogP of 3.13, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-ethoxyanilino)cyclohex-2-en-1-one is sourced from PubChem (CID 4640755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).