[1-(4-carbamoylphenyl)-4-phenylbutyl] benzoate

C24H23NO3 — CID 102495090

IUPAC[1-(4-carbamoylphenyl)-4-phenylbutyl] benzoate
SMILESNC(=O)c1ccc(C(CCCc2ccccc2)OC(=O)c2ccccc2)cc1
InChIInChI=1S/C24H23NO3/c25-23(26)20-16-14-19(15-17-20)22(13-7-10-18-8-3-1-4-9-18)28-24(27)21-11-5-2-6-12-21/h1-6,8-9,11-12,14-17,22H,7,10,13H2,(H2,25,26)
InChIKeyAJIXYAMIOMFNDX-UHFFFAOYSA-N
MW373.45 g/mol
LogP4.71
Rot. Bonds8

About [1-(4-carbamoylphenyl)-4-phenylbutyl] benzoate

[1-(4-carbamoylphenyl)-4-phenylbutyl] benzoate (PubChem CID 102495090) has the molecular formula C24H23NO3 and a molecular weight of 373.45 g/mol. Its IUPAC name is [1-(4-carbamoylphenyl)-4-phenylbutyl] benzoate.

Molecular Properties

Compound Name[1-(4-carbamoylphenyl)-4-phenylbutyl] benzoate
PubChem CID102495090
Molecular FormulaC24H23NO3
Molecular Weight373.45 g/mol
Exact Mass373.17
IUPAC Name[1-(4-carbamoylphenyl)-4-phenylbutyl] benzoate
SMILESNC(=O)c1ccc(C(CCCc2ccccc2)OC(=O)c2ccccc2)cc1
InChIInChI=1S/C24H23NO3/c25-23(26)20-16-14-19(15-17-20)22(13-7-10-18-8-3-1-4-9-18)28-24(27)21-11-5-2-6-12-21/h1-6,8-9,11-12,14-17,22H,7,10,13H2,(H2,25,26)
InChIKeyAJIXYAMIOMFNDX-UHFFFAOYSA-N
XLogP4.71
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.45
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(4-acetylphenyl)-4-phenylbutyl] benzoate
CID 102495089
1-phenylhexyl benzoate
CID 57263824
1,3-diphenylpropyl carbamate
CID 154100927
4-(2-phenylethyl)benzamide
CID 23130460
[2-(4-pentylbenzoyl)oxy-2-phenylethyl] 4-pentylbenzoate
CID 19742466
4-(4-phenylbutoxy)benzamide
CID 11963163
4-(1-hydroxy-4-phenylbutyl)benzoic acid
CID 14816598
4-(5-phenylpentoxy)benzamide
CID 142267536
[(1R)-1-phenylpropyl] 4-(4-pentylphenyl)benzoate
CID 70857426
[(1S)-2-methoxy-2-oxo-1-phenylethyl] 4-carbamoylbenzoate
CID 30929559
4-(1-carboxy-4-phenylbutyl)benzoic acid
CID 82136611
[2-(4-ethylbenzoyl)oxy-2-phenylethyl] 4-ethylbenzoate
CID 19742385

Frequently Asked Questions

What is the IUPAC name of [1-(4-carbamoylphenyl)-4-phenylbutyl] benzoate?
The IUPAC name of [1-(4-carbamoylphenyl)-4-phenylbutyl] benzoate (CID 102495090) is [1-(4-carbamoylphenyl)-4-phenylbutyl] benzoate.
What is the SMILES notation for [1-(4-carbamoylphenyl)-4-phenylbutyl] benzoate?
The canonical SMILES for [1-(4-carbamoylphenyl)-4-phenylbutyl] benzoate is NC(=O)c1ccc(C(CCCc2ccccc2)OC(=O)c2ccccc2)cc1.
What is the InChIKey of [1-(4-carbamoylphenyl)-4-phenylbutyl] benzoate?
The InChIKey is AJIXYAMIOMFNDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23NO3/c25-23(26)20-16-14-19(15-17-20)22(13-7-10-18-8-3-1-4-9-18)28-24(27)21-11-5-2-6-12-21/h1-6,8-9,11-12,14-17,22H,7,10,13H2,(H2,25,26).
What are the key properties of [1-(4-carbamoylphenyl)-4-phenylbutyl] benzoate?
[1-(4-carbamoylphenyl)-4-phenylbutyl] benzoate has a molecular weight of 373.45 g/mol, XLogP of 4.71, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-carbamoylphenyl)-4-phenylbutyl] benzoate is sourced from PubChem (CID 102495090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).