4-phenylbutyl N-(2,2-diphenylacetyl)carbamate

C25H25NO3 — CID 54427908

IUPAC4-phenylbutyl N-(2,2-diphenylacetyl)carbamate
SMILESO=C(NC(=O)C(c1ccccc1)c1ccccc1)OCCCCc1ccccc1
InChIInChI=1S/C25H25NO3/c27-24(23(21-15-6-2-7-16-21)22-17-8-3-9-18-22)26-25(28)29-19-11-10-14-20-12-4-1-5-13-20/h1-9,12-13,15-18,23H,10-11,14,19H2,(H,26,27,28)
InChIKeyWFKOHRVPOLCHAB-UHFFFAOYSA-N
MW387.48 g/mol
LogP5.09
Rot. Bonds8

About 4-phenylbutyl N-(2,2-diphenylacetyl)carbamate

4-phenylbutyl N-(2,2-diphenylacetyl)carbamate (PubChem CID 54427908) has the molecular formula C25H25NO3 and a molecular weight of 387.48 g/mol. Its IUPAC name is 4-phenylbutyl N-(2,2-diphenylacetyl)carbamate.

Molecular Properties

Compound Name4-phenylbutyl N-(2,2-diphenylacetyl)carbamate
PubChem CID54427908
Molecular FormulaC25H25NO3
Molecular Weight387.48 g/mol
Exact Mass387.18
IUPAC Name4-phenylbutyl N-(2,2-diphenylacetyl)carbamate
SMILESO=C(NC(=O)C(c1ccccc1)c1ccccc1)OCCCCc1ccccc1
InChIInChI=1S/C25H25NO3/c27-24(23(21-15-6-2-7-16-21)22-17-8-3-9-18-22)26-25(28)29-19-11-10-14-20-12-4-1-5-13-20/h1-9,12-13,15-18,23H,10-11,14,19H2,(H,26,27,28)
InChIKeyWFKOHRVPOLCHAB-UHFFFAOYSA-N
XLogP5.09
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.48
LogP ≤ 55.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(3,4-dimethoxyphenyl)ethyl N-(2,2-diphenylacetyl)carbamate
CID 54573334
2-phenylethyl N-carbamoylcarbamate
CID 3027882
8-phenyloctyl carbamate
CID 67180735
(2S)-3-phenyl-2-(3-phenylpropoxycarbonylamino)propanoic acid
CID 167455758
2-phenylethyl N-(4-phenylbutyl)carbamate
CID 23058488
benzyl N-[(2,2-diphenylacetyl)amino]carbamate
CID 4935805
decyl N-(4-phenylbutyl)carbamate
CID 101211373
3-pyridin-4-ylpropyl N-[(4-chlorophenyl)-phenylmethyl]carbamate
CID 6734135
3-phenylpropyl N-(2-phenoxyethyl)carbamate
CID 6733581
5-phenylpentyl N-[(4-chlorophenyl)methyl]carbamate
CID 6711074
bis(3-phenylpropyl) hexanedioate
CID 59854363
(2R,3R)-2,3-dihydroxy-4-oxo-4-(3-phenylpropoxy)butanoic acid
CID 141000752

Frequently Asked Questions

What is the IUPAC name of 4-phenylbutyl N-(2,2-diphenylacetyl)carbamate?
The IUPAC name of 4-phenylbutyl N-(2,2-diphenylacetyl)carbamate (CID 54427908) is 4-phenylbutyl N-(2,2-diphenylacetyl)carbamate.
What is the SMILES notation for 4-phenylbutyl N-(2,2-diphenylacetyl)carbamate?
The canonical SMILES for 4-phenylbutyl N-(2,2-diphenylacetyl)carbamate is O=C(NC(=O)C(c1ccccc1)c1ccccc1)OCCCCc1ccccc1.
What is the InChIKey of 4-phenylbutyl N-(2,2-diphenylacetyl)carbamate?
The InChIKey is WFKOHRVPOLCHAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25NO3/c27-24(23(21-15-6-2-7-16-21)22-17-8-3-9-18-22)26-25(28)29-19-11-10-14-20-12-4-1-5-13-20/h1-9,12-13,15-18,23H,10-11,14,19H2,(H,26,27,28).
What are the key properties of 4-phenylbutyl N-(2,2-diphenylacetyl)carbamate?
4-phenylbutyl N-(2,2-diphenylacetyl)carbamate has a molecular weight of 387.48 g/mol, XLogP of 5.09, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenylbutyl N-(2,2-diphenylacetyl)carbamate is sourced from PubChem (CID 54427908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).