(3,4-dimethylphenyl) N,N-diethylcarbamate

C13H19NO2 — CID 102196145

IUPAC(3,4-dimethylphenyl) N,N-diethylcarbamate
SMILESCCN(CC)C(=O)Oc1ccc(C)c(C)c1
InChIInChI=1S/C13H19NO2/c1-5-14(6-2)13(15)16-12-8-7-10(3)11(4)9-12/h7-9H,5-6H2,1-4H3
InChIKeyDEDQHYMAWVRDSR-UHFFFAOYSA-N
MW221.30 g/mol
LogP3.14
Rot. Bonds3

About (3,4-dimethylphenyl) N,N-diethylcarbamate

(3,4-dimethylphenyl) N,N-diethylcarbamate (PubChem CID 102196145) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is (3,4-dimethylphenyl) N,N-diethylcarbamate.

Molecular Properties

Compound Name(3,4-dimethylphenyl) N,N-diethylcarbamate
PubChem CID102196145
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC Name(3,4-dimethylphenyl) N,N-diethylcarbamate
SMILESCCN(CC)C(=O)Oc1ccc(C)c(C)c1
InChIInChI=1S/C13H19NO2/c1-5-14(6-2)13(15)16-12-8-7-10(3)11(4)9-12/h7-9H,5-6H2,1-4H3
InChIKeyDEDQHYMAWVRDSR-UHFFFAOYSA-N
XLogP3.14
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3,4-dimethylphenyl) N,N-diethylcarbamate?
The IUPAC name of (3,4-dimethylphenyl) N,N-diethylcarbamate (CID 102196145) is (3,4-dimethylphenyl) N,N-diethylcarbamate.
What is the SMILES notation for (3,4-dimethylphenyl) N,N-diethylcarbamate?
The canonical SMILES for (3,4-dimethylphenyl) N,N-diethylcarbamate is CCN(CC)C(=O)Oc1ccc(C)c(C)c1.
What is the InChIKey of (3,4-dimethylphenyl) N,N-diethylcarbamate?
The InChIKey is DEDQHYMAWVRDSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2/c1-5-14(6-2)13(15)16-12-8-7-10(3)11(4)9-12/h7-9H,5-6H2,1-4H3.
What are the key properties of (3,4-dimethylphenyl) N,N-diethylcarbamate?
(3,4-dimethylphenyl) N,N-diethylcarbamate has a molecular weight of 221.30 g/mol, XLogP of 3.14, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-dimethylphenyl) N,N-diethylcarbamate is sourced from PubChem (CID 102196145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).