methyl N-(3-oxo-1-phenylpentyl)carbamate

C13H17NO3 — CID 16759061

IUPACmethyl N-(3-oxo-1-phenylpentyl)carbamate
SMILESCCC(=O)CC(NC(=O)OC)c1ccccc1
InChIInChI=1S/C13H17NO3/c1-3-11(15)9-12(14-13(16)17-2)10-7-5-4-6-8-10/h4-8,12H,3,9H2,1-2H3,(H,14,16)
InChIKeyHDKIORJTHPWJEX-UHFFFAOYSA-N
MW235.28 g/mol
LogP2.45
Rot. Bonds5

About methyl N-(3-oxo-1-phenylpentyl)carbamate

methyl N-(3-oxo-1-phenylpentyl)carbamate (PubChem CID 16759061) has the molecular formula C13H17NO3 and a molecular weight of 235.28 g/mol. Its IUPAC name is methyl N-(3-oxo-1-phenylpentyl)carbamate.

Molecular Properties

Compound Namemethyl N-(3-oxo-1-phenylpentyl)carbamate
PubChem CID16759061
Molecular FormulaC13H17NO3
Molecular Weight235.28 g/mol
Exact Mass235.12
IUPAC Namemethyl N-(3-oxo-1-phenylpentyl)carbamate
SMILESCCC(=O)CC(NC(=O)OC)c1ccccc1
InChIInChI=1S/C13H17NO3/c1-3-11(15)9-12(14-13(16)17-2)10-7-5-4-6-8-10/h4-8,12H,3,9H2,1-2H3,(H,14,16)
InChIKeyHDKIORJTHPWJEX-UHFFFAOYSA-N
XLogP2.45
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.28
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl N-(3-oxo-1-phenylpentyl)carbamate?
The IUPAC name of methyl N-(3-oxo-1-phenylpentyl)carbamate (CID 16759061) is methyl N-(3-oxo-1-phenylpentyl)carbamate.
What is the SMILES notation for methyl N-(3-oxo-1-phenylpentyl)carbamate?
The canonical SMILES for methyl N-(3-oxo-1-phenylpentyl)carbamate is CCC(=O)CC(NC(=O)OC)c1ccccc1.
What is the InChIKey of methyl N-(3-oxo-1-phenylpentyl)carbamate?
The InChIKey is HDKIORJTHPWJEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO3/c1-3-11(15)9-12(14-13(16)17-2)10-7-5-4-6-8-10/h4-8,12H,3,9H2,1-2H3,(H,14,16).
What are the key properties of methyl N-(3-oxo-1-phenylpentyl)carbamate?
methyl N-(3-oxo-1-phenylpentyl)carbamate has a molecular weight of 235.28 g/mol, XLogP of 2.45, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-(3-oxo-1-phenylpentyl)carbamate is sourced from PubChem (CID 16759061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).