benzyl N-methyl-N-(5-oxopentyl)carbamate

C14H19NO3 — CID 86722745

IUPACbenzyl N-methyl-N-(5-oxopentyl)carbamate
SMILESCN(CCCCC=O)C(=O)OCc1ccccc1
InChIInChI=1S/C14H19NO3/c1-15(10-6-3-7-11-16)14(17)18-12-13-8-4-2-5-9-13/h2,4-5,8-9,11H,3,6-7,10,12H2,1H3
InChIKeyDNYYEPVANRPPLS-UHFFFAOYSA-N
MW249.31 g/mol
LogP2.62
Rot. Bonds7

About benzyl N-methyl-N-(5-oxopentyl)carbamate

benzyl N-methyl-N-(5-oxopentyl)carbamate (PubChem CID 86722745) has the molecular formula C14H19NO3 and a molecular weight of 249.31 g/mol. Its IUPAC name is benzyl N-methyl-N-(5-oxopentyl)carbamate.

Molecular Properties

Compound Namebenzyl N-methyl-N-(5-oxopentyl)carbamate
PubChem CID86722745
Molecular FormulaC14H19NO3
Molecular Weight249.31 g/mol
Exact Mass249.14
IUPAC Namebenzyl N-methyl-N-(5-oxopentyl)carbamate
SMILESCN(CCCCC=O)C(=O)OCc1ccccc1
InChIInChI=1S/C14H19NO3/c1-15(10-6-3-7-11-16)14(17)18-12-13-8-4-2-5-9-13/h2,4-5,8-9,11H,3,6-7,10,12H2,1H3
InChIKeyDNYYEPVANRPPLS-UHFFFAOYSA-N
XLogP2.62
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

benzyl N-(2,2-dimethyl-6-oxohexyl)-N-methylcarbamate
CID 171078650
methyl 5-[methyl(phenylmethoxycarbonyl)amino]pentanoate
CID 139381333
benzyl N-(3-chlorosulfonylpropyl)-N-methylcarbamate
CID 84715697
6-[methyl(phenylmethoxycarbonyl)amino]-2-sulfanylcarbonylhexanoic acid
CID 87797194
benzyl N-(3-chloro-3-oxopropyl)-N-methylcarbamate
CID 58137041
benzyl N,N-dimethylcarbamate
CID 12963450
benzyl N-(2,2-dimethylpropyl)-N-methylcarbamate
CID 110669345
benzyl N-[2-[(3-chloro-2,2-dimethyl-3-oxopropanoyl)-methylamino]ethyl]-N-methylcarbamate
CID 59256379
(2R)-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-5-[methyl(phenylmethoxycarbonyl)amino]pentanoic acid
CID 90122937
benzyl N-[2-(furan-2-yl)ethyl]-N-methylcarbamate
CID 110733313
[methyl(phenylmethoxycarbonyl)amino]methyl benzoate
CID 143845150
N-benzyl-N-(5-oxopentyl)acetamide
CID 11586698

Frequently Asked Questions

What is the IUPAC name of benzyl N-methyl-N-(5-oxopentyl)carbamate?
The IUPAC name of benzyl N-methyl-N-(5-oxopentyl)carbamate (CID 86722745) is benzyl N-methyl-N-(5-oxopentyl)carbamate.
What is the SMILES notation for benzyl N-methyl-N-(5-oxopentyl)carbamate?
The canonical SMILES for benzyl N-methyl-N-(5-oxopentyl)carbamate is CN(CCCCC=O)C(=O)OCc1ccccc1.
What is the InChIKey of benzyl N-methyl-N-(5-oxopentyl)carbamate?
The InChIKey is DNYYEPVANRPPLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO3/c1-15(10-6-3-7-11-16)14(17)18-12-13-8-4-2-5-9-13/h2,4-5,8-9,11H,3,6-7,10,12H2,1H3.
What are the key properties of benzyl N-methyl-N-(5-oxopentyl)carbamate?
benzyl N-methyl-N-(5-oxopentyl)carbamate has a molecular weight of 249.31 g/mol, XLogP of 2.62, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-methyl-N-(5-oxopentyl)carbamate is sourced from PubChem (CID 86722745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).