methyl N-(3,5-diethylphenyl)carbamate

C12H17NO2 — CID 13150461

IUPACmethyl N-(3,5-diethylphenyl)carbamate
SMILESCCc1cc(CC)cc(NC(=O)OC)c1
InChIInChI=1S/C12H17NO2/c1-4-9-6-10(5-2)8-11(7-9)13-12(14)15-3/h6-8H,4-5H2,1-3H3,(H,13,14)
InChIKeyZBMRIHHQSDTWFN-UHFFFAOYSA-N
MW207.27 g/mol
LogP2.99
Rot. Bonds3

About methyl N-(3,5-diethylphenyl)carbamate

methyl N-(3,5-diethylphenyl)carbamate (PubChem CID 13150461) has the molecular formula C12H17NO2 and a molecular weight of 207.27 g/mol. Its IUPAC name is methyl N-(3,5-diethylphenyl)carbamate.

Molecular Properties

Compound Namemethyl N-(3,5-diethylphenyl)carbamate
PubChem CID13150461
Molecular FormulaC12H17NO2
Molecular Weight207.27 g/mol
Exact Mass207.13
IUPAC Namemethyl N-(3,5-diethylphenyl)carbamate
SMILESCCc1cc(CC)cc(NC(=O)OC)c1
InChIInChI=1S/C12H17NO2/c1-4-9-6-10(5-2)8-11(7-9)13-12(14)15-3/h6-8H,4-5H2,1-3H3,(H,13,14)
InChIKeyZBMRIHHQSDTWFN-UHFFFAOYSA-N
XLogP2.99
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 ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze methyl N-(3,5-diethylphenyl)carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tert-butyl N-(3-ethyl-5-formamidophenyl)carbamate
CID 144969625
methyl N-[3,5-bis(methoxycarbonylamino)-2-methylphenyl]carbamate
CID 149435265
methyl N-(3-bromo-4-ethylphenyl)carbamate
CID 150278306
methyl N-(2-ethylpyrimidin-5-yl)carbamate
CID 126992347
2-[3-(methoxycarbonylamino)phenyl]acetic acid
CID 21387794
(3,5-diethylphenyl) methyl carbonate
CID 174729067
methyl N-[4-(hydroxymethyl)phenyl]carbamate
CID 64793961
methyl N-[3-(2,2-dimethylpropyl)phenyl]carbamate
CID 149287034
methyl N-[17-(methoxycarbonylamino)-5-pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3(28),4,6,9(27),10,12,15,17,19(26),21,23-dodecaenyl]carbamate
CID 102328667
butane;methyl N-(4-methylphenyl)carbamate
CID 155739087
1-[3-ethyl-5-(methoxymethyl)phenyl]ethanone
CID 89361495
methyl N-[4-(butanoylamino)phenyl]carbamate
CID 47251296

Frequently Asked Questions

What is the IUPAC name of methyl N-(3,5-diethylphenyl)carbamate?
The IUPAC name of methyl N-(3,5-diethylphenyl)carbamate (CID 13150461) is methyl N-(3,5-diethylphenyl)carbamate.
What is the SMILES notation for methyl N-(3,5-diethylphenyl)carbamate?
The canonical SMILES for methyl N-(3,5-diethylphenyl)carbamate is CCc1cc(CC)cc(NC(=O)OC)c1.
What is the InChIKey of methyl N-(3,5-diethylphenyl)carbamate?
The InChIKey is ZBMRIHHQSDTWFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2/c1-4-9-6-10(5-2)8-11(7-9)13-12(14)15-3/h6-8H,4-5H2,1-3H3,(H,13,14).
What are the key properties of methyl N-(3,5-diethylphenyl)carbamate?
methyl N-(3,5-diethylphenyl)carbamate has a molecular weight of 207.27 g/mol, XLogP of 2.99, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-(3,5-diethylphenyl)carbamate is sourced from PubChem (CID 13150461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).