3-methylbutyl N-phenylcarbamate

C12H17NO2 — CID 69480810

IUPAC3-methylbutyl N-phenylcarbamate
SMILESCC(C)CCOC(=O)Nc1ccccc1
InChIInChI=1S/C12H17NO2/c1-10(2)8-9-15-12(14)13-11-6-4-3-5-7-11/h3-7,10H,8-9H2,1-2H3,(H,13,14)
InChIKeyLCWQHYXZAIMHOT-UHFFFAOYSA-N
MW207.27 g/mol
LogP3.28
Rot. Bonds4

About 3-methylbutyl N-phenylcarbamate

3-methylbutyl N-phenylcarbamate (PubChem CID 69480810) has the molecular formula C12H17NO2 and a molecular weight of 207.27 g/mol. Its IUPAC name is 3-methylbutyl N-phenylcarbamate.

Molecular Properties

Compound Name3-methylbutyl N-phenylcarbamate
PubChem CID69480810
Molecular FormulaC12H17NO2
Molecular Weight207.27 g/mol
Exact Mass207.13
IUPAC Name3-methylbutyl N-phenylcarbamate
SMILESCC(C)CCOC(=O)Nc1ccccc1
InChIInChI=1S/C12H17NO2/c1-10(2)8-9-15-12(14)13-11-6-4-3-5-7-11/h3-7,10H,8-9H2,1-2H3,(H,13,14)
InChIKeyLCWQHYXZAIMHOT-UHFFFAOYSA-N
XLogP3.28
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.27
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-methylbutyl N-(4-aminophenyl)carbamate;hydrochloride
CID 24836337
3,5-bis(phenylcarbamoyloxy)pentyl N-phenylcarbamate
CID 20688817
2-[2-(phenylcarbamoyloxy)ethoxy]ethyl N-phenylcarbamate
CID 4644419
2-ethoxyethyl N-phenylcarbamate
CID 4101389
[5-[(4-hydroxyphenyl)carbamoyloxy]-3-methylpentyl] N-(4-hydroxyphenyl)carbamate
CID 70350686
dodecyl N-phenylcarbamate
CID 521818
8-(phenylcarbamoyloxy)octa-3,5-diynyl N-phenylcarbamate
CID 15528686
butane;phenylcarbamoyloxymethyl N-phenylcarbamate
CID 20571621
benzene;5-carbamoyloxypentyl N-phenylcarbamate
CID 157392925
2-(benzenesulfonyl)ethyl N-phenylcarbamate
CID 14081594
2-(phenylcarbamoylsulfanyl)ethyl N-phenylcarbamate
CID 58663822
2-nitroethyl N-phenylcarbamate
CID 154110399

Frequently Asked Questions

What is the IUPAC name of 3-methylbutyl N-phenylcarbamate?
The IUPAC name of 3-methylbutyl N-phenylcarbamate (CID 69480810) is 3-methylbutyl N-phenylcarbamate.
What is the SMILES notation for 3-methylbutyl N-phenylcarbamate?
The canonical SMILES for 3-methylbutyl N-phenylcarbamate is CC(C)CCOC(=O)Nc1ccccc1.
What is the InChIKey of 3-methylbutyl N-phenylcarbamate?
The InChIKey is LCWQHYXZAIMHOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2/c1-10(2)8-9-15-12(14)13-11-6-4-3-5-7-11/h3-7,10H,8-9H2,1-2H3,(H,13,14).
What are the key properties of 3-methylbutyl N-phenylcarbamate?
3-methylbutyl N-phenylcarbamate has a molecular weight of 207.27 g/mol, XLogP of 3.28, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylbutyl N-phenylcarbamate is sourced from PubChem (CID 69480810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).