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

C20H21NO2 — CID 869711

IUPAC(5R)-3-(2-ethoxyanilino)-5-phenylcyclohex-2-en-1-one
SMILESCCOc1ccccc1NC1=CC(=O)C[C@H](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/t16-/m1/s1
InChIKeyRDCGPRDARLEINQ-MRXNPFEDSA-N
MW307.39 g/mol
LogP4.53
Rot. Bonds5

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

(5R)-3-(2-ethoxyanilino)-5-phenylcyclohex-2-en-1-one (PubChem CID 869711) has the molecular formula C20H21NO2 and a molecular weight of 307.39 g/mol. Its IUPAC name is (5R)-3-(2-ethoxyanilino)-5-phenylcyclohex-2-en-1-one.

Molecular Properties

Compound Name(5R)-3-(2-ethoxyanilino)-5-phenylcyclohex-2-en-1-one
PubChem CID869711
Molecular FormulaC20H21NO2
Molecular Weight307.39 g/mol
Exact Mass307.16
IUPAC Name(5R)-3-(2-ethoxyanilino)-5-phenylcyclohex-2-en-1-one
SMILESCCOc1ccccc1NC1=CC(=O)C[C@H](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/t16-/m1/s1
InChIKeyRDCGPRDARLEINQ-MRXNPFEDSA-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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Related Compounds

(5S)-3-(2-ethoxyanilino)-5-(4-methoxyphenyl)cyclohex-2-en-1-one
CID 820873
3-(2-phenoxyanilino)-5-phenylcyclohex-2-en-1-one
CID 594957
5-phenyl-3-(2-pyrrolidin-1-ylanilino)cyclohex-2-en-1-one
CID 168515485
3-[2-[(2-chloro-1,3-thiazol-5-yl)methylamino]anilino]-5-phenylcyclohex-2-en-1-one
CID 168580888
(5R)-3-[6-[[(5S)-3-oxo-5-phenylcyclohexen-1-yl]amino]hexylamino]-5-phenylcyclohex-2-en-1-one
CID 99641197
(5S)-3-(2-aminoanilino)-5-(3,4-dimethoxyphenyl)cyclohex-2-en-1-one
CID 1417385
3-[(3-oxo-5-phenylcyclohexen-1-yl)amino]thiophene-2-carbonitrile
CID 44613966
3-(2-aminopropylamino)-5-phenylcyclohex-2-en-1-one
CID 23825460
tert-butyl N-[[(5R)-3-oxo-5-phenylcyclohexen-1-yl]amino]carbamate
CID 878364
(5S)-3-[(4-methylpiperazin-1-yl)amino]-5-phenylcyclohex-2-en-1-one
CID 7279343
ethyl (1S,6R)-4-(2-fluoroanilino)-2-oxo-6-phenylcyclohex-3-ene-1-carboxylate
CID 1266865
2-(2-ethoxyanilino)benzoic acid
CID 726510

Frequently Asked Questions

What is the IUPAC name of (5R)-3-(2-ethoxyanilino)-5-phenylcyclohex-2-en-1-one?
The IUPAC name of (5R)-3-(2-ethoxyanilino)-5-phenylcyclohex-2-en-1-one (CID 869711) is (5R)-3-(2-ethoxyanilino)-5-phenylcyclohex-2-en-1-one.
What is the SMILES notation for (5R)-3-(2-ethoxyanilino)-5-phenylcyclohex-2-en-1-one?
The canonical SMILES for (5R)-3-(2-ethoxyanilino)-5-phenylcyclohex-2-en-1-one is CCOc1ccccc1NC1=CC(=O)C[C@H](c2ccccc2)C1.
What is the InChIKey of (5R)-3-(2-ethoxyanilino)-5-phenylcyclohex-2-en-1-one?
The InChIKey is RDCGPRDARLEINQ-MRXNPFEDSA-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/t16-/m1/s1.
What are the key properties of (5R)-3-(2-ethoxyanilino)-5-phenylcyclohex-2-en-1-one?
(5R)-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 (5R)-3-(2-ethoxyanilino)-5-phenylcyclohex-2-en-1-one is sourced from PubChem (CID 869711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).