2-oxo-N-[3-oxo-4-(4-phenoxyphenyl)-1-phenylmethoxybutan-2-yl]-2-phenylacetamide

C31H27NO5 — CID 58523214

IUPAC2-oxo-N-[3-oxo-4-(4-phenoxyphenyl)-1-phenylmethoxybutan-2-yl]-2-phenylacetamide
SMILESO=C(NC(COCc1ccccc1)C(=O)Cc1ccc(Oc2ccccc2)cc1)C(=O)c1ccccc1
InChIInChI=1S/C31H27NO5/c33-29(20-23-16-18-27(19-17-23)37-26-14-8-3-9-15-26)28(22-36-21-24-10-4-1-5-11-24)32-31(35)30(34)25-12-6-2-7-13-25/h1-19,28H,20-22H2,(H,32,35)
InChIKeyNIRQTUKQUPYYMB-UHFFFAOYSA-N
MW493.56 g/mol
LogP5.18
Rot. Bonds12

About 2-oxo-N-[3-oxo-4-(4-phenoxyphenyl)-1-phenylmethoxybutan-2-yl]-2-phenylacetamide

2-oxo-N-[3-oxo-4-(4-phenoxyphenyl)-1-phenylmethoxybutan-2-yl]-2-phenylacetamide (PubChem CID 58523214) has the molecular formula C31H27NO5 and a molecular weight of 493.56 g/mol. Its IUPAC name is 2-oxo-N-[3-oxo-4-(4-phenoxyphenyl)-1-phenylmethoxybutan-2-yl]-2-phenylacetamide.

Molecular Properties

Compound Name2-oxo-N-[3-oxo-4-(4-phenoxyphenyl)-1-phenylmethoxybutan-2-yl]-2-phenylacetamide
PubChem CID58523214
Molecular FormulaC31H27NO5
Molecular Weight493.56 g/mol
Exact Mass493.19
IUPAC Name2-oxo-N-[3-oxo-4-(4-phenoxyphenyl)-1-phenylmethoxybutan-2-yl]-2-phenylacetamide
SMILESO=C(NC(COCc1ccccc1)C(=O)Cc1ccc(Oc2ccccc2)cc1)C(=O)c1ccccc1
InChIInChI=1S/C31H27NO5/c33-29(20-23-16-18-27(19-17-23)37-26-14-8-3-9-15-26)28(22-36-21-24-10-4-1-5-11-24)32-31(35)30(34)25-12-6-2-7-13-25/h1-19,28H,20-22H2,(H,32,35)
InChIKeyNIRQTUKQUPYYMB-UHFFFAOYSA-N
XLogP5.18
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500493.56
LogP ≤ 55.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

N-[3-oxo-4-(4-phenoxyphenyl)-1-phenylmethoxybutan-2-yl]acetamide
CID 58523230
N-[3-oxo-4-(4-phenoxyphenyl)-1-phenylmethoxybutan-2-yl]hexanamide
CID 58523151
2-methoxy-N-[3-oxo-4-(4-phenoxyphenyl)-1-phenylmethoxybutan-2-yl]-2-phenylacetamide
CID 58523051
2-(1,3-benzodioxol-5-yl)-N-[3-oxo-4-(4-phenoxyphenyl)-1-phenylmethoxybutan-2-yl]acetamide
CID 58523067
2-(2,5-dichlorophenyl)-N-[(2S)-3-oxo-4-(4-phenoxyphenyl)-1-phenylmethoxybutan-2-yl]acetamide
CID 58523180
2-chloro-N-[3-oxo-4-(4-phenoxyphenyl)-1-phenylmethoxybutan-2-yl]pyridine-3-carboxamide
CID 58523019
N-[(2S)-4-[4-(4-fluorophenoxy)phenyl]-3-oxo-1-phenylmethoxybutan-2-yl]-2-pyrazin-2-ylacetamide
CID 58523198
[2-methyl-6-[[3-oxo-4-(4-phenoxyphenyl)-1-phenylmethoxybutan-2-yl]carbamoyl]phenyl]-oxoazanium
CID 58523072
3-methyl-2-nitroso-N-[3-oxo-4-(4-phenoxyphenyl)-1-phenylmethoxybutan-2-yl]benzamide
CID 58523073
4-(3,4-dimethoxyphenyl)-N-[3-oxo-4-(4-phenoxyphenyl)-1-phenylmethoxybutan-2-yl]butanamide
CID 58523266
N-[4-[4-(4-fluorophenoxy)phenyl]-3-oxo-1-phenylmethoxybutan-2-yl]-2-[2-fluoro-3-(trifluoromethyl)phenyl]acetamide
CID 58523220
7-methoxy-N-[3-oxo-4-(4-phenoxyphenyl)-1-phenylmethoxybutan-2-yl]-1-benzofuran-2-carboxamide
CID 58522947

Frequently Asked Questions

What is the IUPAC name of 2-oxo-N-[3-oxo-4-(4-phenoxyphenyl)-1-phenylmethoxybutan-2-yl]-2-phenylacetamide?
The IUPAC name of 2-oxo-N-[3-oxo-4-(4-phenoxyphenyl)-1-phenylmethoxybutan-2-yl]-2-phenylacetamide (CID 58523214) is 2-oxo-N-[3-oxo-4-(4-phenoxyphenyl)-1-phenylmethoxybutan-2-yl]-2-phenylacetamide.
What is the SMILES notation for 2-oxo-N-[3-oxo-4-(4-phenoxyphenyl)-1-phenylmethoxybutan-2-yl]-2-phenylacetamide?
The canonical SMILES for 2-oxo-N-[3-oxo-4-(4-phenoxyphenyl)-1-phenylmethoxybutan-2-yl]-2-phenylacetamide is O=C(NC(COCc1ccccc1)C(=O)Cc1ccc(Oc2ccccc2)cc1)C(=O)c1ccccc1.
What is the InChIKey of 2-oxo-N-[3-oxo-4-(4-phenoxyphenyl)-1-phenylmethoxybutan-2-yl]-2-phenylacetamide?
The InChIKey is NIRQTUKQUPYYMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H27NO5/c33-29(20-23-16-18-27(19-17-23)37-26-14-8-3-9-15-26)28(22-36-21-24-10-4-1-5-11-24)32-31(35)30(34)25-12-6-2-7-13-25/h1-19,28H,20-22H2,(H,32,35).
What are the key properties of 2-oxo-N-[3-oxo-4-(4-phenoxyphenyl)-1-phenylmethoxybutan-2-yl]-2-phenylacetamide?
2-oxo-N-[3-oxo-4-(4-phenoxyphenyl)-1-phenylmethoxybutan-2-yl]-2-phenylacetamide has a molecular weight of 493.56 g/mol, XLogP of 5.18, 12 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-N-[3-oxo-4-(4-phenoxyphenyl)-1-phenylmethoxybutan-2-yl]-2-phenylacetamide is sourced from PubChem (CID 58523214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).