methyl N-(5-oxopentyl)-N-phenylcarbamate

C13H17NO3 — CID 174518980

IUPACmethyl N-(5-oxopentyl)-N-phenylcarbamate
SMILESCOC(=O)N(CCCCC=O)c1ccccc1
InChIInChI=1S/C13H17NO3/c1-17-13(16)14(10-6-3-7-11-15)12-8-4-2-5-9-12/h2,4-5,8-9,11H,3,6-7,10H2,1H3
InChIKeyVDMIRJLMWWISQU-UHFFFAOYSA-N
MW235.28 g/mol
LogP2.63
Rot. Bonds6

About methyl N-(5-oxopentyl)-N-phenylcarbamate

methyl N-(5-oxopentyl)-N-phenylcarbamate (PubChem CID 174518980) has the molecular formula C13H17NO3 and a molecular weight of 235.28 g/mol. Its IUPAC name is methyl N-(5-oxopentyl)-N-phenylcarbamate.

Molecular Properties

Compound Namemethyl N-(5-oxopentyl)-N-phenylcarbamate
PubChem CID174518980
Molecular FormulaC13H17NO3
Molecular Weight235.28 g/mol
Exact Mass235.12
IUPAC Namemethyl N-(5-oxopentyl)-N-phenylcarbamate
SMILESCOC(=O)N(CCCCC=O)c1ccccc1
InChIInChI=1S/C13H17NO3/c1-17-13(16)14(10-6-3-7-11-15)12-8-4-2-5-9-12/h2,4-5,8-9,11H,3,6-7,10H2,1H3
InChIKeyVDMIRJLMWWISQU-UHFFFAOYSA-N
XLogP2.63
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.28
LogP ≤ 52.63
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

methyl 6-(N-acetylanilino)hexanoate
CID 14219907
methyl N-phenyl-N-(2-pyrrolidin-1-ylethyl)carbamate
CID 142235373
N-benzyl-N-(5-oxopentyl)acetamide
CID 11586698
methyl N-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-N-phenylcarbamate
CID 155963850
benzyl N-methyl-N-(5-oxopentyl)carbamate
CID 86722745
tert-butyl N-phenyl-N-(3-trimethoxysilylpropyl)carbamate
CID 19019620
tert-butyl N-octadecyl-N-phenylcarbamate
CID 174455229
tert-butyl N-hexyl-N-phenylcarbamate
CID 135064745
methyl 4-[N-[2-(N-(4-methoxy-4-oxobutanoyl)anilino)ethyl]anilino]-4-oxobutanoate
CID 2858219
N-phenyl-N-(3-trimethoxysilylpropyl)carbamoyl fluoride
CID 23561714
methyl N-(3-aminopropyl)-N-(3-methoxyphenyl)carbamate
CID 43136235
ethyl N-(6-methylheptyl)-N-phenylcarbamate
CID 163979854

Frequently Asked Questions

What is the IUPAC name of methyl N-(5-oxopentyl)-N-phenylcarbamate?
The IUPAC name of methyl N-(5-oxopentyl)-N-phenylcarbamate (CID 174518980) is methyl N-(5-oxopentyl)-N-phenylcarbamate.
What is the SMILES notation for methyl N-(5-oxopentyl)-N-phenylcarbamate?
The canonical SMILES for methyl N-(5-oxopentyl)-N-phenylcarbamate is COC(=O)N(CCCCC=O)c1ccccc1.
What is the InChIKey of methyl N-(5-oxopentyl)-N-phenylcarbamate?
The InChIKey is VDMIRJLMWWISQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO3/c1-17-13(16)14(10-6-3-7-11-15)12-8-4-2-5-9-12/h2,4-5,8-9,11H,3,6-7,10H2,1H3.
What are the key properties of methyl N-(5-oxopentyl)-N-phenylcarbamate?
methyl N-(5-oxopentyl)-N-phenylcarbamate has a molecular weight of 235.28 g/mol, XLogP of 2.63, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-(5-oxopentyl)-N-phenylcarbamate is sourced from PubChem (CID 174518980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).