[3-(3-carbamoylphenyl)phenyl] N-(4-phenylbutyl)carbamate

C24H24N2O3 — CID 56677182

IUPAC[3-(3-carbamoylphenyl)phenyl] N-(4-phenylbutyl)carbamate
SMILESNC(=O)c1cccc(-c2cccc(OC(=O)NCCCCc3ccccc3)c2)c1
InChIInChI=1S/C24H24N2O3/c25-23(27)21-13-6-11-19(16-21)20-12-7-14-22(17-20)29-24(28)26-15-5-4-10-18-8-2-1-3-9-18/h1-3,6-9,11-14,16-17H,4-5,10,15H2,(H2,25,27)(H,26,28)
InChIKeyVTIBTSKQFUMCHP-UHFFFAOYSA-N
MW388.47 g/mol
LogP4.56
Rot. Bonds8

About [3-(3-carbamoylphenyl)phenyl] N-(4-phenylbutyl)carbamate

[3-(3-carbamoylphenyl)phenyl] N-(4-phenylbutyl)carbamate (PubChem CID 56677182) has the molecular formula C24H24N2O3 and a molecular weight of 388.47 g/mol. Its IUPAC name is [3-(3-carbamoylphenyl)phenyl] N-(4-phenylbutyl)carbamate.

Molecular Properties

Compound Name[3-(3-carbamoylphenyl)phenyl] N-(4-phenylbutyl)carbamate
PubChem CID56677182
Molecular FormulaC24H24N2O3
Molecular Weight388.47 g/mol
Exact Mass388.18
IUPAC Name[3-(3-carbamoylphenyl)phenyl] N-(4-phenylbutyl)carbamate
SMILESNC(=O)c1cccc(-c2cccc(OC(=O)NCCCCc3ccccc3)c2)c1
InChIInChI=1S/C24H24N2O3/c25-23(27)21-13-6-11-19(16-21)20-12-7-14-22(17-20)29-24(28)26-15-5-4-10-18-8-2-1-3-9-18/h1-3,6-9,11-14,16-17H,4-5,10,15H2,(H2,25,27)(H,26,28)
InChIKeyVTIBTSKQFUMCHP-UHFFFAOYSA-N
XLogP4.56
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.47
LogP ≤ 54.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Cyclohexyl carbamic acid 3'-carbamoylbiphenyl-3-yl ester
CID 1383884
Urb937
CID 53394762
[3-(3-carbamoylphenyl)-4-methoxyphenyl] N-cyclohexylcarbamate
CID 71506769
Benzamide, N-(2-(7-methoxy-1-naphthalenyl)ethyl)-
CID 3071639
3'-Carbamoyl-biphenyl-3-yl-undecynecarbamate
CID 24860363
[3-(3-carbamoylphenyl)-4-methylphenyl] N-cyclohexylcarbamate
CID 71511803
N-[2-(7-methoxy-3-benzoylnaphth-1-yl)ethyl]acetamide
CID 15289276
3-[4-(2-Acetylaminoethyl)-6-methoxynaphth-2-yl]benzoic acid methyl ester
CID 44579260
[3-(3-carbamoylphenyl)-5-hydroxy-phenyl]N-cyclohexylcarbamate
CID 71506583
3-methoxy-N-(4-phenylbutan-2-yl)benzamide
CID 2914414
3-({[3-(4-benzoylphenoxy)propyl](methyl)amino}methyl)phenyl N-methylcarbamate
CID 11133811
N1,N3-bis(3-methoxybenzyl)isophthalamide
CID 10111838

Frequently Asked Questions

What is the IUPAC name of [3-(3-carbamoylphenyl)phenyl] N-(4-phenylbutyl)carbamate?
The IUPAC name of [3-(3-carbamoylphenyl)phenyl] N-(4-phenylbutyl)carbamate (CID 56677182) is [3-(3-carbamoylphenyl)phenyl] N-(4-phenylbutyl)carbamate.
What is the SMILES notation for [3-(3-carbamoylphenyl)phenyl] N-(4-phenylbutyl)carbamate?
The canonical SMILES for [3-(3-carbamoylphenyl)phenyl] N-(4-phenylbutyl)carbamate is NC(=O)c1cccc(-c2cccc(OC(=O)NCCCCc3ccccc3)c2)c1.
What is the InChIKey of [3-(3-carbamoylphenyl)phenyl] N-(4-phenylbutyl)carbamate?
The InChIKey is VTIBTSKQFUMCHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2O3/c25-23(27)21-13-6-11-19(16-21)20-12-7-14-22(17-20)29-24(28)26-15-5-4-10-18-8-2-1-3-9-18/h1-3,6-9,11-14,16-17H,4-5,10,15H2,(H2,25,27)(H,26,28).
What are the key properties of [3-(3-carbamoylphenyl)phenyl] N-(4-phenylbutyl)carbamate?
[3-(3-carbamoylphenyl)phenyl] N-(4-phenylbutyl)carbamate has a molecular weight of 388.47 g/mol, XLogP of 4.56, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(3-carbamoylphenyl)phenyl] N-(4-phenylbutyl)carbamate is sourced from PubChem (CID 56677182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).