(4-ethylphenyl) N,N-diethylcarbamate

C13H19NO2 — CID 127558589

IUPAC(4-ethylphenyl) N,N-diethylcarbamate
SMILESCCc1ccc(OC(=O)N(CC)CC)cc1
InChIInChI=1S/C13H19NO2/c1-4-11-7-9-12(10-8-11)16-13(15)14(5-2)6-3/h7-10H,4-6H2,1-3H3
InChIKeyRAVGKZIKLJCWQW-UHFFFAOYSA-N
MW221.30 g/mol
LogP3.09
Rot. Bonds4

About (4-ethylphenyl) N,N-diethylcarbamate

(4-ethylphenyl) N,N-diethylcarbamate (PubChem CID 127558589) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is (4-ethylphenyl) N,N-diethylcarbamate.

Molecular Properties

Compound Name(4-ethylphenyl) N,N-diethylcarbamate
PubChem CID127558589
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC Name(4-ethylphenyl) N,N-diethylcarbamate
SMILESCCc1ccc(OC(=O)N(CC)CC)cc1
InChIInChI=1S/C13H19NO2/c1-4-11-7-9-12(10-8-11)16-13(15)14(5-2)6-3/h7-10H,4-6H2,1-3H3
InChIKeyRAVGKZIKLJCWQW-UHFFFAOYSA-N
XLogP3.09
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4-ethylphenyl) N,N-diethylcarbamate?
The IUPAC name of (4-ethylphenyl) N,N-diethylcarbamate (CID 127558589) is (4-ethylphenyl) N,N-diethylcarbamate.
What is the SMILES notation for (4-ethylphenyl) N,N-diethylcarbamate?
The canonical SMILES for (4-ethylphenyl) N,N-diethylcarbamate is CCc1ccc(OC(=O)N(CC)CC)cc1.
What is the InChIKey of (4-ethylphenyl) N,N-diethylcarbamate?
The InChIKey is RAVGKZIKLJCWQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2/c1-4-11-7-9-12(10-8-11)16-13(15)14(5-2)6-3/h7-10H,4-6H2,1-3H3.
What are the key properties of (4-ethylphenyl) N,N-diethylcarbamate?
(4-ethylphenyl) N,N-diethylcarbamate has a molecular weight of 221.30 g/mol, XLogP of 3.09, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethylphenyl) N,N-diethylcarbamate is sourced from PubChem (CID 127558589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).