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

C19H21NO3 — CID 10308511

IUPACbenzyl N-methyl-N-(4-oxo-4-phenylbutan-2-yl)carbamate
SMILESCC(CC(=O)c1ccccc1)N(C)C(=O)OCc1ccccc1
InChIInChI=1S/C19H21NO3/c1-15(13-18(21)17-11-7-4-8-12-17)20(2)19(22)23-14-16-9-5-3-6-10-16/h3-12,15H,13-14H2,1-2H3
InChIKeyIAPIOQOVZQNWNW-UHFFFAOYSA-N
MW311.38 g/mol
LogP3.92
Rot. Bonds6

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

benzyl N-methyl-N-(4-oxo-4-phenylbutan-2-yl)carbamate (PubChem CID 10308511) has the molecular formula C19H21NO3 and a molecular weight of 311.38 g/mol. Its IUPAC name is benzyl N-methyl-N-(4-oxo-4-phenylbutan-2-yl)carbamate.

Molecular Properties

Compound Namebenzyl N-methyl-N-(4-oxo-4-phenylbutan-2-yl)carbamate
PubChem CID10308511
Molecular FormulaC19H21NO3
Molecular Weight311.38 g/mol
Exact Mass311.15
IUPAC Namebenzyl N-methyl-N-(4-oxo-4-phenylbutan-2-yl)carbamate
SMILESCC(CC(=O)c1ccccc1)N(C)C(=O)OCc1ccccc1
InChIInChI=1S/C19H21NO3/c1-15(13-18(21)17-11-7-4-8-12-17)20(2)19(22)23-14-16-9-5-3-6-10-16/h3-12,15H,13-14H2,1-2H3
InChIKeyIAPIOQOVZQNWNW-UHFFFAOYSA-N
XLogP3.92
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.38
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of benzyl N-methyl-N-(4-oxo-4-phenylbutan-2-yl)carbamate?
The IUPAC name of benzyl N-methyl-N-(4-oxo-4-phenylbutan-2-yl)carbamate (CID 10308511) is benzyl N-methyl-N-(4-oxo-4-phenylbutan-2-yl)carbamate.
What is the SMILES notation for benzyl N-methyl-N-(4-oxo-4-phenylbutan-2-yl)carbamate?
The canonical SMILES for benzyl N-methyl-N-(4-oxo-4-phenylbutan-2-yl)carbamate is CC(CC(=O)c1ccccc1)N(C)C(=O)OCc1ccccc1.
What is the InChIKey of benzyl N-methyl-N-(4-oxo-4-phenylbutan-2-yl)carbamate?
The InChIKey is IAPIOQOVZQNWNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO3/c1-15(13-18(21)17-11-7-4-8-12-17)20(2)19(22)23-14-16-9-5-3-6-10-16/h3-12,15H,13-14H2,1-2H3.
What are the key properties of benzyl N-methyl-N-(4-oxo-4-phenylbutan-2-yl)carbamate?
benzyl N-methyl-N-(4-oxo-4-phenylbutan-2-yl)carbamate has a molecular weight of 311.38 g/mol, XLogP of 3.92, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-methyl-N-(4-oxo-4-phenylbutan-2-yl)carbamate is sourced from PubChem (CID 10308511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).