N-(4-ethoxyphenyl)-3-[(2S,3S)-5-oxo-2-phenyloxolan-3-yl]propanamide

C21H23NO4 — CID 7451686

IUPACN-(4-ethoxyphenyl)-3-[(2S,3S)-5-oxo-2-phenyloxolan-3-yl]propanamide
SMILESCCOc1ccc(NC(=O)CC[C@H]2CC(=O)O[C@@H]2c2ccccc2)cc1
InChIInChI=1S/C21H23NO4/c1-2-25-18-11-9-17(10-12-18)22-19(23)13-8-16-14-20(24)26-21(16)15-6-4-3-5-7-15/h3-7,9-12,16,21H,2,8,13-14H2,1H3,(H,22,23)/t16-,21+/m0/s1
InChIKeyLNTKWHMUQFZRFY-HRAATJIYSA-N
MW353.42 g/mol
LogP4.11
Rot. Bonds7

About N-(4-ethoxyphenyl)-3-[(2S,3S)-5-oxo-2-phenyloxolan-3-yl]propanamide

N-(4-ethoxyphenyl)-3-[(2S,3S)-5-oxo-2-phenyloxolan-3-yl]propanamide (PubChem CID 7451686) has the molecular formula C21H23NO4 and a molecular weight of 353.42 g/mol. Its IUPAC name is N-(4-ethoxyphenyl)-3-[(2S,3S)-5-oxo-2-phenyloxolan-3-yl]propanamide.

Molecular Properties

Compound NameN-(4-ethoxyphenyl)-3-[(2S,3S)-5-oxo-2-phenyloxolan-3-yl]propanamide
PubChem CID7451686
Molecular FormulaC21H23NO4
Molecular Weight353.42 g/mol
Exact Mass353.16
IUPAC NameN-(4-ethoxyphenyl)-3-[(2S,3S)-5-oxo-2-phenyloxolan-3-yl]propanamide
SMILESCCOc1ccc(NC(=O)CC[C@H]2CC(=O)O[C@@H]2c2ccccc2)cc1
InChIInChI=1S/C21H23NO4/c1-2-25-18-11-9-17(10-12-18)22-19(23)13-8-16-14-20(24)26-21(16)15-6-4-3-5-7-15/h3-7,9-12,16,21H,2,8,13-14H2,1H3,(H,22,23)/t16-,21+/m0/s1
InChIKeyLNTKWHMUQFZRFY-HRAATJIYSA-N
XLogP4.11
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.42
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R,3S)-N-(4-ethoxyphenyl)-5-oxo-2-phenyloxolane-3-carboxamide
CID 975811
N,N'-bis(4-ethoxyphenyl)nonanediamide
CID 4507995
N-(4-ethoxyphenyl)-5-oxo-5-phenylpentanamide
CID 110356036
N-(4-ethoxyphenyl)-2-(4-oxo-2-phenyl-2,3-dihydro-1,5-benzothiazepin-5-yl)acetamide
CID 20878126
N-[4-(4-ethoxyphenoxy)phenyl]-3-(oxolan-2-yl)propanamide
CID 55605765
N-(4-ethoxyphenyl)-N'-[(E)-1-phenylhexylideneamino]butanediamide
CID 6392223
N-(4-ethoxyphenyl)-3,3-diphenylpropanamide
CID 836173
4-[2-[6-[2-[4-(4-ethoxyanilino)-4-oxobutanoyl]hydrazinyl]-6-oxohexanoyl]hydrazinyl]-N-(4-ethoxyphenyl)-4-oxobutanamide
CID 5119959
4-[2-[5-[2-[4-(4-ethoxyanilino)-4-oxobutanoyl]hydrazinyl]-5-oxopentanoyl]hydrazinyl]-N-(4-ethoxyphenyl)-4-oxobutanamide
CID 5119958
(3S)-N-(4-ethoxyphenyl)-1-oxo-3,4-dihydroisochromene-3-carboxamide
CID 2146555
tert-butyl 4-(4-ethoxyanilino)-4-oxobutanoate
CID 106706844
2-[2-(aminomethyl)phenyl]-N-(4-ethoxyphenyl)acetamide
CID 81312144

Frequently Asked Questions

What is the IUPAC name of N-(4-ethoxyphenyl)-3-[(2S,3S)-5-oxo-2-phenyloxolan-3-yl]propanamide?
The IUPAC name of N-(4-ethoxyphenyl)-3-[(2S,3S)-5-oxo-2-phenyloxolan-3-yl]propanamide (CID 7451686) is N-(4-ethoxyphenyl)-3-[(2S,3S)-5-oxo-2-phenyloxolan-3-yl]propanamide.
What is the SMILES notation for N-(4-ethoxyphenyl)-3-[(2S,3S)-5-oxo-2-phenyloxolan-3-yl]propanamide?
The canonical SMILES for N-(4-ethoxyphenyl)-3-[(2S,3S)-5-oxo-2-phenyloxolan-3-yl]propanamide is CCOc1ccc(NC(=O)CC[C@H]2CC(=O)O[C@@H]2c2ccccc2)cc1.
What is the InChIKey of N-(4-ethoxyphenyl)-3-[(2S,3S)-5-oxo-2-phenyloxolan-3-yl]propanamide?
The InChIKey is LNTKWHMUQFZRFY-HRAATJIYSA-N. The full InChI is InChI=1S/C21H23NO4/c1-2-25-18-11-9-17(10-12-18)22-19(23)13-8-16-14-20(24)26-21(16)15-6-4-3-5-7-15/h3-7,9-12,16,21H,2,8,13-14H2,1H3,(H,22,23)/t16-,21+/m0/s1.
What are the key properties of N-(4-ethoxyphenyl)-3-[(2S,3S)-5-oxo-2-phenyloxolan-3-yl]propanamide?
N-(4-ethoxyphenyl)-3-[(2S,3S)-5-oxo-2-phenyloxolan-3-yl]propanamide has a molecular weight of 353.42 g/mol, XLogP of 4.11, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethoxyphenyl)-3-[(2S,3S)-5-oxo-2-phenyloxolan-3-yl]propanamide is sourced from PubChem (CID 7451686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).