benzyl N-(4-oxo-4-phenylbutan-2-yl)carbamate

C18H19NO3 — CID 10308385

IUPACbenzyl N-(4-oxo-4-phenylbutan-2-yl)carbamate
SMILESCC(CC(=O)c1ccccc1)NC(=O)OCc1ccccc1
InChIInChI=1S/C18H19NO3/c1-14(12-17(20)16-10-6-3-7-11-16)19-18(21)22-13-15-8-4-2-5-9-15/h2-11,14H,12-13H2,1H3,(H,19,21)
InChIKeyUJCLQNBTFJZUJY-UHFFFAOYSA-N
MW297.35 g/mol
LogP3.57
Rot. Bonds6

About benzyl N-(4-oxo-4-phenylbutan-2-yl)carbamate

benzyl N-(4-oxo-4-phenylbutan-2-yl)carbamate (PubChem CID 10308385) has the molecular formula C18H19NO3 and a molecular weight of 297.35 g/mol. Its IUPAC name is benzyl N-(4-oxo-4-phenylbutan-2-yl)carbamate.

Molecular Properties

Compound Namebenzyl N-(4-oxo-4-phenylbutan-2-yl)carbamate
PubChem CID10308385
Molecular FormulaC18H19NO3
Molecular Weight297.35 g/mol
Exact Mass297.14
IUPAC Namebenzyl N-(4-oxo-4-phenylbutan-2-yl)carbamate
SMILESCC(CC(=O)c1ccccc1)NC(=O)OCc1ccccc1
InChIInChI=1S/C18H19NO3/c1-14(12-17(20)16-10-6-3-7-11-16)19-18(21)22-13-15-8-4-2-5-9-15/h2-11,14H,12-13H2,1H3,(H,19,21)
InChIKeyUJCLQNBTFJZUJY-UHFFFAOYSA-N
XLogP3.57
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.35
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of benzyl N-(4-oxo-4-phenylbutan-2-yl)carbamate?
The IUPAC name of benzyl N-(4-oxo-4-phenylbutan-2-yl)carbamate (CID 10308385) is benzyl N-(4-oxo-4-phenylbutan-2-yl)carbamate.
What is the SMILES notation for benzyl N-(4-oxo-4-phenylbutan-2-yl)carbamate?
The canonical SMILES for benzyl N-(4-oxo-4-phenylbutan-2-yl)carbamate is CC(CC(=O)c1ccccc1)NC(=O)OCc1ccccc1.
What is the InChIKey of benzyl N-(4-oxo-4-phenylbutan-2-yl)carbamate?
The InChIKey is UJCLQNBTFJZUJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO3/c1-14(12-17(20)16-10-6-3-7-11-16)19-18(21)22-13-15-8-4-2-5-9-15/h2-11,14H,12-13H2,1H3,(H,19,21).
What are the key properties of benzyl N-(4-oxo-4-phenylbutan-2-yl)carbamate?
benzyl N-(4-oxo-4-phenylbutan-2-yl)carbamate has a molecular weight of 297.35 g/mol, XLogP of 3.57, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-(4-oxo-4-phenylbutan-2-yl)carbamate is sourced from PubChem (CID 10308385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).