benzyl N-(2-oxo-4-phenylbutyl)carbamate

C18H19NO3 — CID 21467340

IUPACbenzyl N-(2-oxo-4-phenylbutyl)carbamate
SMILESO=C(CCc1ccccc1)CNC(=O)OCc1ccccc1
InChIInChI=1S/C18H19NO3/c20-17(12-11-15-7-3-1-4-8-15)13-19-18(21)22-14-16-9-5-2-6-10-16/h1-10H,11-14H2,(H,19,21)
InChIKeyWZBKLVNBDWWESN-UHFFFAOYSA-N
MW297.35 g/mol
LogP3.11
Rot. Bonds7

About benzyl N-(2-oxo-4-phenylbutyl)carbamate

benzyl N-(2-oxo-4-phenylbutyl)carbamate (PubChem CID 21467340) has the molecular formula C18H19NO3 and a molecular weight of 297.35 g/mol. Its IUPAC name is benzyl N-(2-oxo-4-phenylbutyl)carbamate.

Molecular Properties

Compound Namebenzyl N-(2-oxo-4-phenylbutyl)carbamate
PubChem CID21467340
Molecular FormulaC18H19NO3
Molecular Weight297.35 g/mol
Exact Mass297.14
IUPAC Namebenzyl N-(2-oxo-4-phenylbutyl)carbamate
SMILESO=C(CCc1ccccc1)CNC(=O)OCc1ccccc1
InChIInChI=1S/C18H19NO3/c20-17(12-11-15-7-3-1-4-8-15)13-19-18(21)22-14-16-9-5-2-6-10-16/h1-10H,11-14H2,(H,19,21)
InChIKeyWZBKLVNBDWWESN-UHFFFAOYSA-N
XLogP3.11
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.35
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of benzyl N-(2-oxo-4-phenylbutyl)carbamate?
The IUPAC name of benzyl N-(2-oxo-4-phenylbutyl)carbamate (CID 21467340) is benzyl N-(2-oxo-4-phenylbutyl)carbamate.
What is the SMILES notation for benzyl N-(2-oxo-4-phenylbutyl)carbamate?
The canonical SMILES for benzyl N-(2-oxo-4-phenylbutyl)carbamate is O=C(CCc1ccccc1)CNC(=O)OCc1ccccc1.
What is the InChIKey of benzyl N-(2-oxo-4-phenylbutyl)carbamate?
The InChIKey is WZBKLVNBDWWESN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO3/c20-17(12-11-15-7-3-1-4-8-15)13-19-18(21)22-14-16-9-5-2-6-10-16/h1-10H,11-14H2,(H,19,21).
What are the key properties of benzyl N-(2-oxo-4-phenylbutyl)carbamate?
benzyl N-(2-oxo-4-phenylbutyl)carbamate has a molecular weight of 297.35 g/mol, XLogP of 3.11, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-(2-oxo-4-phenylbutyl)carbamate is sourced from PubChem (CID 21467340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).