(4-methylphenyl) N-ethylcarbamate

C10H13NO2 — CID 3701964

IUPAC(4-methylphenyl) N-ethylcarbamate
SMILESCCNC(=O)Oc1ccc(C)cc1
InChIInChI=1S/C10H13NO2/c1-3-11-10(12)13-9-6-4-8(2)5-7-9/h4-7H,3H2,1-2H3,(H,11,12)
InChIKeyQITHMWRZZVHKPY-UHFFFAOYSA-N
MW179.22 g/mol
LogP2.10
Rot. Bonds2

About (4-methylphenyl) N-ethylcarbamate

(4-methylphenyl) N-ethylcarbamate (PubChem CID 3701964) has the molecular formula C10H13NO2 and a molecular weight of 179.22 g/mol. Its IUPAC name is (4-methylphenyl) N-ethylcarbamate.

Molecular Properties

Compound Name(4-methylphenyl) N-ethylcarbamate
PubChem CID3701964
Molecular FormulaC10H13NO2
Molecular Weight179.22 g/mol
Exact Mass179.09
IUPAC Name(4-methylphenyl) N-ethylcarbamate
SMILESCCNC(=O)Oc1ccc(C)cc1
InChIInChI=1S/C10H13NO2/c1-3-11-10(12)13-9-6-4-8(2)5-7-9/h4-7H,3H2,1-2H3,(H,11,12)
InChIKeyQITHMWRZZVHKPY-UHFFFAOYSA-N
XLogP2.10
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.22
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4-methylphenyl) N-ethylcarbamate?
The IUPAC name of (4-methylphenyl) N-ethylcarbamate (CID 3701964) is (4-methylphenyl) N-ethylcarbamate.
What is the SMILES notation for (4-methylphenyl) N-ethylcarbamate?
The canonical SMILES for (4-methylphenyl) N-ethylcarbamate is CCNC(=O)Oc1ccc(C)cc1.
What is the InChIKey of (4-methylphenyl) N-ethylcarbamate?
The InChIKey is QITHMWRZZVHKPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO2/c1-3-11-10(12)13-9-6-4-8(2)5-7-9/h4-7H,3H2,1-2H3,(H,11,12).
What are the key properties of (4-methylphenyl) N-ethylcarbamate?
(4-methylphenyl) N-ethylcarbamate has a molecular weight of 179.22 g/mol, XLogP of 2.10, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylphenyl) N-ethylcarbamate is sourced from PubChem (CID 3701964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).