phenyl N-butyl-N-methylcarbamate

C12H17NO2 — CID 564973

IUPACphenyl N-butyl-N-methylcarbamate
SMILESCCCCN(C)C(=O)Oc1ccccc1
InChIInChI=1S/C12H17NO2/c1-3-4-10-13(2)12(14)15-11-8-6-5-7-9-11/h5-9H,3-4,10H2,1-2H3
InChIKeyPIYQZICAYWIHGV-UHFFFAOYSA-N
MW207.27 g/mol
LogP2.92
Rot. Bonds4

About phenyl N-butyl-N-methylcarbamate

phenyl N-butyl-N-methylcarbamate (PubChem CID 564973) has the molecular formula C12H17NO2 and a molecular weight of 207.27 g/mol. Its IUPAC name is phenyl N-butyl-N-methylcarbamate.

Molecular Properties

Compound Namephenyl N-butyl-N-methylcarbamate
PubChem CID564973
Molecular FormulaC12H17NO2
Molecular Weight207.27 g/mol
Exact Mass207.13
IUPAC Namephenyl N-butyl-N-methylcarbamate
SMILESCCCCN(C)C(=O)Oc1ccccc1
InChIInChI=1S/C12H17NO2/c1-3-4-10-13(2)12(14)15-11-8-6-5-7-9-11/h5-9H,3-4,10H2,1-2H3
InChIKeyPIYQZICAYWIHGV-UHFFFAOYSA-N
XLogP2.92
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.27
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

phenyl N-methyl-N-[2-[methyl(phenoxycarbonyl)amino]ethyl]carbamate
CID 124926393
phenyl N-(ethylsulfanylmethyl)-N-methylcarbamate
CID 22245503
phenyl N-methyl-N-[2-oxo-2-(propylamino)ethyl]carbamate
CID 60636579
[butyl(phenoxycarbonyl)amino] prop-2-enoate
CID 87600273
phenyl N-methyl-N-prop-2-ynylcarbamate
CID 21388381
phenyl N-methyl-N-prop-2-enylcarbamate
CID 66595557
phenyl N-[2-(4-fluorophenoxy)ethyl]-N-methylcarbamate
CID 60676113
phenyl N-methyl-N-(2-pyridin-2-ylethyl)carbamate
CID 60681158
phenyl N-butyl-N-pent-4-enoylcarbamate
CID 89318268
[4-[butyl(methyl)sulfamoyl]phenyl] N-methyl-N-phenylcarbamate
CID 90862330
phenyl N-[3-(4-methoxyphenoxy)-3-phenylpropyl]-N-methylcarbamate
CID 69379640
phenyl N-ethoxy-N-[ethoxy(phenoxycarbonyl)amino]carbamate
CID 168878000

Frequently Asked Questions

What is the IUPAC name of phenyl N-butyl-N-methylcarbamate?
The IUPAC name of phenyl N-butyl-N-methylcarbamate (CID 564973) is phenyl N-butyl-N-methylcarbamate.
What is the SMILES notation for phenyl N-butyl-N-methylcarbamate?
The canonical SMILES for phenyl N-butyl-N-methylcarbamate is CCCCN(C)C(=O)Oc1ccccc1.
What is the InChIKey of phenyl N-butyl-N-methylcarbamate?
The InChIKey is PIYQZICAYWIHGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2/c1-3-4-10-13(2)12(14)15-11-8-6-5-7-9-11/h5-9H,3-4,10H2,1-2H3.
What are the key properties of phenyl N-butyl-N-methylcarbamate?
phenyl N-butyl-N-methylcarbamate has a molecular weight of 207.27 g/mol, XLogP of 2.92, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl N-butyl-N-methylcarbamate is sourced from PubChem (CID 564973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).