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

C25H25NO4 — CID 58523230

IUPACN-[3-oxo-4-(4-phenoxyphenyl)-1-phenylmethoxybutan-2-yl]acetamide
SMILESCC(=O)NC(COCc1ccccc1)C(=O)Cc1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C25H25NO4/c1-19(27)26-24(18-29-17-21-8-4-2-5-9-21)25(28)16-20-12-14-23(15-13-20)30-22-10-6-3-7-11-22/h2-15,24H,16-18H2,1H3,(H,26,27)
InChIKeyYNHXLBOHKGYFBO-UHFFFAOYSA-N
MW403.48 g/mol
LogP4.31
Rot. Bonds10

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

N-[3-oxo-4-(4-phenoxyphenyl)-1-phenylmethoxybutan-2-yl]acetamide (PubChem CID 58523230) has the molecular formula C25H25NO4 and a molecular weight of 403.48 g/mol. Its IUPAC name is N-[3-oxo-4-(4-phenoxyphenyl)-1-phenylmethoxybutan-2-yl]acetamide.

Molecular Properties

Compound NameN-[3-oxo-4-(4-phenoxyphenyl)-1-phenylmethoxybutan-2-yl]acetamide
PubChem CID58523230
Molecular FormulaC25H25NO4
Molecular Weight403.48 g/mol
Exact Mass403.18
IUPAC NameN-[3-oxo-4-(4-phenoxyphenyl)-1-phenylmethoxybutan-2-yl]acetamide
SMILESCC(=O)NC(COCc1ccccc1)C(=O)Cc1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C25H25NO4/c1-19(27)26-24(18-29-17-21-8-4-2-5-9-21)25(28)16-20-12-14-23(15-13-20)30-22-10-6-3-7-11-22/h2-15,24H,16-18H2,1H3,(H,26,27)
InChIKeyYNHXLBOHKGYFBO-UHFFFAOYSA-N
XLogP4.31
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.48
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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-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-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
4-(3,4-dimethoxyphenyl)-N-[3-oxo-4-(4-phenoxyphenyl)-1-phenylmethoxybutan-2-yl]butanamide
CID 58523266
N-[(2S)-4-[4-(4-fluorophenoxy)phenyl]-3-oxo-1-phenylmethoxybutan-2-yl]-2-pyrazin-2-ylacetamide
CID 58523198
7-methoxy-N-[3-oxo-4-(4-phenoxyphenyl)-1-phenylmethoxybutan-2-yl]-1-benzofuran-2-carboxamide
CID 58522947
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 N-[3-oxo-4-(4-phenoxyphenyl)-1-phenylmethoxybutan-2-yl]acetamide?
The IUPAC name of N-[3-oxo-4-(4-phenoxyphenyl)-1-phenylmethoxybutan-2-yl]acetamide (CID 58523230) is N-[3-oxo-4-(4-phenoxyphenyl)-1-phenylmethoxybutan-2-yl]acetamide.
What is the SMILES notation for N-[3-oxo-4-(4-phenoxyphenyl)-1-phenylmethoxybutan-2-yl]acetamide?
The canonical SMILES for N-[3-oxo-4-(4-phenoxyphenyl)-1-phenylmethoxybutan-2-yl]acetamide is CC(=O)NC(COCc1ccccc1)C(=O)Cc1ccc(Oc2ccccc2)cc1.
What is the InChIKey of N-[3-oxo-4-(4-phenoxyphenyl)-1-phenylmethoxybutan-2-yl]acetamide?
The InChIKey is YNHXLBOHKGYFBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25NO4/c1-19(27)26-24(18-29-17-21-8-4-2-5-9-21)25(28)16-20-12-14-23(15-13-20)30-22-10-6-3-7-11-22/h2-15,24H,16-18H2,1H3,(H,26,27).
What are the key properties of N-[3-oxo-4-(4-phenoxyphenyl)-1-phenylmethoxybutan-2-yl]acetamide?
N-[3-oxo-4-(4-phenoxyphenyl)-1-phenylmethoxybutan-2-yl]acetamide has a molecular weight of 403.48 g/mol, XLogP of 4.31, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-oxo-4-(4-phenoxyphenyl)-1-phenylmethoxybutan-2-yl]acetamide is sourced from PubChem (CID 58523230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).