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

C32H31NO5 — CID 58523051

IUPAC2-methoxy-N-[3-oxo-4-(4-phenoxyphenyl)-1-phenylmethoxybutan-2-yl]-2-phenylacetamide
SMILESCOC(C(=O)NC(COCc1ccccc1)C(=O)Cc1ccc(Oc2ccccc2)cc1)c1ccccc1
InChIInChI=1S/C32H31NO5/c1-36-31(26-13-7-3-8-14-26)32(35)33-29(23-37-22-25-11-5-2-6-12-25)30(34)21-24-17-19-28(20-18-24)38-27-15-9-4-10-16-27/h2-20,29,31H,21-23H2,1H3,(H,33,35)
InChIKeyWKKMSVIVWNWCIZ-UHFFFAOYSA-N
MW509.60 g/mol
LogP5.68
Rot. Bonds13

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

2-methoxy-N-[3-oxo-4-(4-phenoxyphenyl)-1-phenylmethoxybutan-2-yl]-2-phenylacetamide (PubChem CID 58523051) has the molecular formula C32H31NO5 and a molecular weight of 509.60 g/mol. Its IUPAC name is 2-methoxy-N-[3-oxo-4-(4-phenoxyphenyl)-1-phenylmethoxybutan-2-yl]-2-phenylacetamide.

Molecular Properties

Compound Name2-methoxy-N-[3-oxo-4-(4-phenoxyphenyl)-1-phenylmethoxybutan-2-yl]-2-phenylacetamide
PubChem CID58523051
Molecular FormulaC32H31NO5
Molecular Weight509.60 g/mol
Exact Mass509.22
IUPAC Name2-methoxy-N-[3-oxo-4-(4-phenoxyphenyl)-1-phenylmethoxybutan-2-yl]-2-phenylacetamide
SMILESCOC(C(=O)NC(COCc1ccccc1)C(=O)Cc1ccc(Oc2ccccc2)cc1)c1ccccc1
InChIInChI=1S/C32H31NO5/c1-36-31(26-13-7-3-8-14-26)32(35)33-29(23-37-22-25-11-5-2-6-12-25)30(34)21-24-17-19-28(20-18-24)38-27-15-9-4-10-16-27/h2-20,29,31H,21-23H2,1H3,(H,33,35)
InChIKeyWKKMSVIVWNWCIZ-UHFFFAOYSA-N
XLogP5.68
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds13
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500509.60
LogP ≤ 55.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-oxo-4-(4-phenoxyphenyl)-1-phenylmethoxybutan-2-yl]acetamide
CID 58523230
2-oxo-N-[3-oxo-4-(4-phenoxyphenyl)-1-phenylmethoxybutan-2-yl]-2-phenylacetamide
CID 58523214
N-[3-oxo-4-(4-phenoxyphenyl)-1-phenylmethoxybutan-2-yl]hexanamide
CID 58523151
2-(2,5-dichlorophenyl)-N-[(2S)-3-oxo-4-(4-phenoxyphenyl)-1-phenylmethoxybutan-2-yl]acetamide
CID 58523180
2-(1,3-benzodioxol-5-yl)-N-[3-oxo-4-(4-phenoxyphenyl)-1-phenylmethoxybutan-2-yl]acetamide
CID 58523067
4-(3,4-dimethoxyphenyl)-N-[3-oxo-4-(4-phenoxyphenyl)-1-phenylmethoxybutan-2-yl]butanamide
CID 58523266
[2-methyl-6-[[3-oxo-4-(4-phenoxyphenyl)-1-phenylmethoxybutan-2-yl]carbamoyl]phenyl]-oxoazanium
CID 58523072
2-chloro-N-[3-oxo-4-(4-phenoxyphenyl)-1-phenylmethoxybutan-2-yl]pyridine-3-carboxamide
CID 58523019
3-methyl-2-nitroso-N-[3-oxo-4-(4-phenoxyphenyl)-1-phenylmethoxybutan-2-yl]benzamide
CID 58523073
7-methoxy-N-[3-oxo-4-(4-phenoxyphenyl)-1-phenylmethoxybutan-2-yl]-1-benzofuran-2-carboxamide
CID 58522947
N-[(2S)-4-[4-(4-fluorophenoxy)phenyl]-3-oxo-1-phenylmethoxybutan-2-yl]-2-pyrazin-2-ylacetamide
CID 58523198
N-[4-[4-(4-fluorophenoxy)phenyl]-3-oxo-1-phenylmethoxybutan-2-yl]-2-[2-fluoro-3-(trifluoromethyl)phenyl]acetamide
CID 58523220

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[3-oxo-4-(4-phenoxyphenyl)-1-phenylmethoxybutan-2-yl]-2-phenylacetamide?
The IUPAC name of 2-methoxy-N-[3-oxo-4-(4-phenoxyphenyl)-1-phenylmethoxybutan-2-yl]-2-phenylacetamide (CID 58523051) is 2-methoxy-N-[3-oxo-4-(4-phenoxyphenyl)-1-phenylmethoxybutan-2-yl]-2-phenylacetamide.
What is the SMILES notation for 2-methoxy-N-[3-oxo-4-(4-phenoxyphenyl)-1-phenylmethoxybutan-2-yl]-2-phenylacetamide?
The canonical SMILES for 2-methoxy-N-[3-oxo-4-(4-phenoxyphenyl)-1-phenylmethoxybutan-2-yl]-2-phenylacetamide is COC(C(=O)NC(COCc1ccccc1)C(=O)Cc1ccc(Oc2ccccc2)cc1)c1ccccc1.
What is the InChIKey of 2-methoxy-N-[3-oxo-4-(4-phenoxyphenyl)-1-phenylmethoxybutan-2-yl]-2-phenylacetamide?
The InChIKey is WKKMSVIVWNWCIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H31NO5/c1-36-31(26-13-7-3-8-14-26)32(35)33-29(23-37-22-25-11-5-2-6-12-25)30(34)21-24-17-19-28(20-18-24)38-27-15-9-4-10-16-27/h2-20,29,31H,21-23H2,1H3,(H,33,35).
What are the key properties of 2-methoxy-N-[3-oxo-4-(4-phenoxyphenyl)-1-phenylmethoxybutan-2-yl]-2-phenylacetamide?
2-methoxy-N-[3-oxo-4-(4-phenoxyphenyl)-1-phenylmethoxybutan-2-yl]-2-phenylacetamide has a molecular weight of 509.60 g/mol, XLogP of 5.68, 13 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[3-oxo-4-(4-phenoxyphenyl)-1-phenylmethoxybutan-2-yl]-2-phenylacetamide is sourced from PubChem (CID 58523051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).