3-(2-ethoxyanilino)-5-phenylcyclohex-2-en-1-one

C20H21NO2 — CID 2866969

IUPAC3-(2-ethoxyanilino)-5-phenylcyclohex-2-en-1-one
SMILESCCOc1ccccc1NC1=CC(=O)CC(c2ccccc2)C1
InChIInChI=1S/C20H21NO2/c1-2-23-20-11-7-6-10-19(20)21-17-12-16(13-18(22)14-17)15-8-4-3-5-9-15/h3-11,14,16,21H,2,12-13H2,1H3
InChIKeyRDCGPRDARLEINQ-UHFFFAOYSA-N
MW307.39 g/mol
LogP4.53
Rot. Bonds5

About 3-(2-ethoxyanilino)-5-phenylcyclohex-2-en-1-one

3-(2-ethoxyanilino)-5-phenylcyclohex-2-en-1-one (PubChem CID 2866969) has the molecular formula C20H21NO2 and a molecular weight of 307.39 g/mol. Its IUPAC name is 3-(2-ethoxyanilino)-5-phenylcyclohex-2-en-1-one.

Molecular Properties

Compound Name3-(2-ethoxyanilino)-5-phenylcyclohex-2-en-1-one
PubChem CID2866969
Molecular FormulaC20H21NO2
Molecular Weight307.39 g/mol
Exact Mass307.16
IUPAC Name3-(2-ethoxyanilino)-5-phenylcyclohex-2-en-1-one
SMILESCCOc1ccccc1NC1=CC(=O)CC(c2ccccc2)C1
InChIInChI=1S/C20H21NO2/c1-2-23-20-11-7-6-10-19(20)21-17-12-16(13-18(22)14-17)15-8-4-3-5-9-15/h3-11,14,16,21H,2,12-13H2,1H3
InChIKeyRDCGPRDARLEINQ-UHFFFAOYSA-N
XLogP4.53
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.39
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(2-ethoxyanilino)-5-phenylcyclohex-2-en-1-one?
The IUPAC name of 3-(2-ethoxyanilino)-5-phenylcyclohex-2-en-1-one (CID 2866969) is 3-(2-ethoxyanilino)-5-phenylcyclohex-2-en-1-one.
What is the SMILES notation for 3-(2-ethoxyanilino)-5-phenylcyclohex-2-en-1-one?
The canonical SMILES for 3-(2-ethoxyanilino)-5-phenylcyclohex-2-en-1-one is CCOc1ccccc1NC1=CC(=O)CC(c2ccccc2)C1.
What is the InChIKey of 3-(2-ethoxyanilino)-5-phenylcyclohex-2-en-1-one?
The InChIKey is RDCGPRDARLEINQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21NO2/c1-2-23-20-11-7-6-10-19(20)21-17-12-16(13-18(22)14-17)15-8-4-3-5-9-15/h3-11,14,16,21H,2,12-13H2,1H3.
What are the key properties of 3-(2-ethoxyanilino)-5-phenylcyclohex-2-en-1-one?
3-(2-ethoxyanilino)-5-phenylcyclohex-2-en-1-one has a molecular weight of 307.39 g/mol, XLogP of 4.53, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-ethoxyanilino)-5-phenylcyclohex-2-en-1-one is sourced from PubChem (CID 2866969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).