4-[(1S)-2-(2-ethoxyanilino)-2-oxo-1-phenylethoxy]benzamide

C23H22N2O4 — CID 8607962

IUPAC4-[(1S)-2-(2-ethoxyanilino)-2-oxo-1-phenylethoxy]benzamide
SMILESCCOc1ccccc1NC(=O)[C@@H](Oc1ccc(C(N)=O)cc1)c1ccccc1
InChIInChI=1S/C23H22N2O4/c1-2-28-20-11-7-6-10-19(20)25-23(27)21(16-8-4-3-5-9-16)29-18-14-12-17(13-15-18)22(24)26/h3-15,21H,2H2,1H3,(H2,24,26)(H,25,27)/t21-/m0/s1
InChIKeyJJDCQTUYMWFCDV-NRFANRHFSA-N
MW390.44 g/mol
LogP3.94
Rot. Bonds8

About 4-[(1S)-2-(2-ethoxyanilino)-2-oxo-1-phenylethoxy]benzamide

4-[(1S)-2-(2-ethoxyanilino)-2-oxo-1-phenylethoxy]benzamide (PubChem CID 8607962) has the molecular formula C23H22N2O4 and a molecular weight of 390.44 g/mol. Its IUPAC name is 4-[(1S)-2-(2-ethoxyanilino)-2-oxo-1-phenylethoxy]benzamide.

Molecular Properties

Compound Name4-[(1S)-2-(2-ethoxyanilino)-2-oxo-1-phenylethoxy]benzamide
PubChem CID8607962
Molecular FormulaC23H22N2O4
Molecular Weight390.44 g/mol
Exact Mass390.16
IUPAC Name4-[(1S)-2-(2-ethoxyanilino)-2-oxo-1-phenylethoxy]benzamide
SMILESCCOc1ccccc1NC(=O)[C@@H](Oc1ccc(C(N)=O)cc1)c1ccccc1
InChIInChI=1S/C23H22N2O4/c1-2-28-20-11-7-6-10-19(20)25-23(27)21(16-8-4-3-5-9-16)29-18-14-12-17(13-15-18)22(24)26/h3-15,21H,2H2,1H3,(H2,24,26)(H,25,27)/t21-/m0/s1
InChIKeyJJDCQTUYMWFCDV-NRFANRHFSA-N
XLogP3.94
TPSA90.65 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.44
LogP ≤ 53.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-(4-cyanophenoxy)-N-(2-ethoxyphenyl)-2-phenylacetamide
CID 7505945
[(1S)-2-(2-ethoxyanilino)-2-oxo-1-phenylethyl] 4-methoxybenzoate
CID 7506876
(2S)-N-(2-ethoxyphenyl)-2-naphthalen-1-yloxy-2-phenylacetamide
CID 7506073
4-N-(2-ethoxyphenyl)benzene-1,4-dicarboxamide
CID 30843274
[2-(2-ethoxyanilino)-2-oxo-1-phenylethyl] 4-butoxybenzoate
CID 3259841
(2S)-2-amino-N-(2-ethoxyphenyl)-2-phenylacetamide
CID 22691717
[(1S)-2-(2-ethoxyanilino)-2-oxo-1-phenylethyl] 4-(hydroxymethyl)benzoate
CID 2537822
4-[(1R)-2-(4-fluoroanilino)-2-oxo-1-phenylethoxy]benzamide
CID 8608028
(2S)-N-(2-ethoxyphenyl)-2-(4-phenylphenoxy)propanamide
CID 40770254
(2R)-2-(2-ethoxy-4-formylphenoxy)-N-(2-ethoxyphenyl)-2-phenylacetamide
CID 9201107
[(1S)-2-(2-ethoxyanilino)-2-oxo-1-phenylethyl] 4-formylbenzoate
CID 2504162
[(1R)-2-(2-ethoxyanilino)-2-oxo-1-phenylethyl] 4-(methoxymethyl)benzoate
CID 7587707

Frequently Asked Questions

What is the IUPAC name of 4-[(1S)-2-(2-ethoxyanilino)-2-oxo-1-phenylethoxy]benzamide?
The IUPAC name of 4-[(1S)-2-(2-ethoxyanilino)-2-oxo-1-phenylethoxy]benzamide (CID 8607962) is 4-[(1S)-2-(2-ethoxyanilino)-2-oxo-1-phenylethoxy]benzamide.
What is the SMILES notation for 4-[(1S)-2-(2-ethoxyanilino)-2-oxo-1-phenylethoxy]benzamide?
The canonical SMILES for 4-[(1S)-2-(2-ethoxyanilino)-2-oxo-1-phenylethoxy]benzamide is CCOc1ccccc1NC(=O)[C@@H](Oc1ccc(C(N)=O)cc1)c1ccccc1.
What is the InChIKey of 4-[(1S)-2-(2-ethoxyanilino)-2-oxo-1-phenylethoxy]benzamide?
The InChIKey is JJDCQTUYMWFCDV-NRFANRHFSA-N. The full InChI is InChI=1S/C23H22N2O4/c1-2-28-20-11-7-6-10-19(20)25-23(27)21(16-8-4-3-5-9-16)29-18-14-12-17(13-15-18)22(24)26/h3-15,21H,2H2,1H3,(H2,24,26)(H,25,27)/t21-/m0/s1.
What are the key properties of 4-[(1S)-2-(2-ethoxyanilino)-2-oxo-1-phenylethoxy]benzamide?
4-[(1S)-2-(2-ethoxyanilino)-2-oxo-1-phenylethoxy]benzamide has a molecular weight of 390.44 g/mol, XLogP of 3.94, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1S)-2-(2-ethoxyanilino)-2-oxo-1-phenylethoxy]benzamide is sourced from PubChem (CID 8607962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).