[4-(phenylcarbamoyl)phenyl]methyl 4-phenoxybutanoate

C24H23NO4 — CID 7185731

IUPAC[4-(phenylcarbamoyl)phenyl]methyl 4-phenoxybutanoate
SMILESO=C(CCCOc1ccccc1)OCc1ccc(C(=O)Nc2ccccc2)cc1
InChIInChI=1S/C24H23NO4/c26-23(12-7-17-28-22-10-5-2-6-11-22)29-18-19-13-15-20(16-14-19)24(27)25-21-8-3-1-4-9-21/h1-6,8-11,13-16H,7,12,17-18H2,(H,25,27)
InChIKeyUMRPLHCXJXRZHU-UHFFFAOYSA-N
MW389.45 g/mol
LogP4.84
Rot. Bonds9

About [4-(phenylcarbamoyl)phenyl]methyl 4-phenoxybutanoate

[4-(phenylcarbamoyl)phenyl]methyl 4-phenoxybutanoate (PubChem CID 7185731) has the molecular formula C24H23NO4 and a molecular weight of 389.45 g/mol. Its IUPAC name is [4-(phenylcarbamoyl)phenyl]methyl 4-phenoxybutanoate.

Molecular Properties

Compound Name[4-(phenylcarbamoyl)phenyl]methyl 4-phenoxybutanoate
PubChem CID7185731
Molecular FormulaC24H23NO4
Molecular Weight389.45 g/mol
Exact Mass389.16
IUPAC Name[4-(phenylcarbamoyl)phenyl]methyl 4-phenoxybutanoate
SMILESO=C(CCCOc1ccccc1)OCc1ccc(C(=O)Nc2ccccc2)cc1
InChIInChI=1S/C24H23NO4/c26-23(12-7-17-28-22-10-5-2-6-11-22)29-18-19-13-15-20(16-14-19)24(27)25-21-8-3-1-4-9-21/h1-6,8-11,13-16H,7,12,17-18H2,(H,25,27)
InChIKeyUMRPLHCXJXRZHU-UHFFFAOYSA-N
XLogP4.84
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.45
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[4-(phenylcarbamoyl)phenyl]methyl 2-(4-ethoxyphenyl)acetate
CID 18226760
N-[4-(phenoxymethyl)phenyl]benzamide
CID 141092226
[4-(phenylcarbamoyl)phenyl]methyl 2-(3-methylphenoxy)acetate
CID 7853389
4-(2-methoxyethoxy)-N-phenylbenzamide
CID 15943269
N-(4-ethylphenyl)-4-(phenoxymethyl)benzamide
CID 2195613
4-(2-phenoxyethoxy)-N-(3-phenylmethoxyphenyl)benzamide
CID 17086099
N-(4-benzamidophenyl)-4-butoxybenzamide
CID 17235408
4-heptoxy-N-(4-phenylmethoxyphenyl)benzamide
CID 4950725
N-[3-(pentanoylamino)phenyl]-4-(phenoxymethyl)benzamide
CID 2187605
N-[4-(3-phenylpropoxy)phenyl]benzamide
CID 17130114
N-(4-ethoxyphenyl)-4-(2-phenoxyethoxy)benzamide
CID 4952680
N-[4-(2-methoxyethoxy)phenyl]-4-(methoxymethyl)benzamide
CID 46441939

Frequently Asked Questions

What is the IUPAC name of [4-(phenylcarbamoyl)phenyl]methyl 4-phenoxybutanoate?
The IUPAC name of [4-(phenylcarbamoyl)phenyl]methyl 4-phenoxybutanoate (CID 7185731) is [4-(phenylcarbamoyl)phenyl]methyl 4-phenoxybutanoate.
What is the SMILES notation for [4-(phenylcarbamoyl)phenyl]methyl 4-phenoxybutanoate?
The canonical SMILES for [4-(phenylcarbamoyl)phenyl]methyl 4-phenoxybutanoate is O=C(CCCOc1ccccc1)OCc1ccc(C(=O)Nc2ccccc2)cc1.
What is the InChIKey of [4-(phenylcarbamoyl)phenyl]methyl 4-phenoxybutanoate?
The InChIKey is UMRPLHCXJXRZHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23NO4/c26-23(12-7-17-28-22-10-5-2-6-11-22)29-18-19-13-15-20(16-14-19)24(27)25-21-8-3-1-4-9-21/h1-6,8-11,13-16H,7,12,17-18H2,(H,25,27).
What are the key properties of [4-(phenylcarbamoyl)phenyl]methyl 4-phenoxybutanoate?
[4-(phenylcarbamoyl)phenyl]methyl 4-phenoxybutanoate has a molecular weight of 389.45 g/mol, XLogP of 4.84, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(phenylcarbamoyl)phenyl]methyl 4-phenoxybutanoate is sourced from PubChem (CID 7185731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).