propyl N-(3,4-dimethylphenyl)carbamate

C12H17NO2 — CID 4163242

IUPACpropyl N-(3,4-dimethylphenyl)carbamate
SMILESCCCOC(=O)Nc1ccc(C)c(C)c1
InChIInChI=1S/C12H17NO2/c1-4-7-15-12(14)13-11-6-5-9(2)10(3)8-11/h5-6,8H,4,7H2,1-3H3,(H,13,14)
InChIKeyAWUJZBDECORJIN-UHFFFAOYSA-N
MW207.27 g/mol
LogP3.26
Rot. Bonds3

About propyl N-(3,4-dimethylphenyl)carbamate

propyl N-(3,4-dimethylphenyl)carbamate (PubChem CID 4163242) has the molecular formula C12H17NO2 and a molecular weight of 207.27 g/mol. Its IUPAC name is propyl N-(3,4-dimethylphenyl)carbamate.

Molecular Properties

Compound Namepropyl N-(3,4-dimethylphenyl)carbamate
PubChem CID4163242
Molecular FormulaC12H17NO2
Molecular Weight207.27 g/mol
Exact Mass207.13
IUPAC Namepropyl N-(3,4-dimethylphenyl)carbamate
SMILESCCCOC(=O)Nc1ccc(C)c(C)c1
InChIInChI=1S/C12H17NO2/c1-4-7-15-12(14)13-11-6-5-9(2)10(3)8-11/h5-6,8H,4,7H2,1-3H3,(H,13,14)
InChIKeyAWUJZBDECORJIN-UHFFFAOYSA-N
XLogP3.26
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.27
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of propyl N-(3,4-dimethylphenyl)carbamate?
The IUPAC name of propyl N-(3,4-dimethylphenyl)carbamate (CID 4163242) is propyl N-(3,4-dimethylphenyl)carbamate.
What is the SMILES notation for propyl N-(3,4-dimethylphenyl)carbamate?
The canonical SMILES for propyl N-(3,4-dimethylphenyl)carbamate is CCCOC(=O)Nc1ccc(C)c(C)c1.
What is the InChIKey of propyl N-(3,4-dimethylphenyl)carbamate?
The InChIKey is AWUJZBDECORJIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2/c1-4-7-15-12(14)13-11-6-5-9(2)10(3)8-11/h5-6,8H,4,7H2,1-3H3,(H,13,14).
What are the key properties of propyl N-(3,4-dimethylphenyl)carbamate?
propyl N-(3,4-dimethylphenyl)carbamate has a molecular weight of 207.27 g/mol, XLogP of 3.26, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for propyl N-(3,4-dimethylphenyl)carbamate is sourced from PubChem (CID 4163242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).