(4-methyl-5-oxo-2H-furan-2-yl) N-(2-ethylphenyl)carbamate

C14H15NO4 — CID 67450607

IUPAC(4-methyl-5-oxo-2H-furan-2-yl) N-(2-ethylphenyl)carbamate
SMILESCCc1ccccc1NC(=O)OC1C=C(C)C(=O)O1
InChIInChI=1S/C14H15NO4/c1-3-10-6-4-5-7-11(10)15-14(17)19-12-8-9(2)13(16)18-12/h4-8,12H,3H2,1-2H3,(H,15,17)
InChIKeyCDDTYOGZEKJUSU-UHFFFAOYSA-N
MW261.28 g/mol
LogP2.63
Rot. Bonds3

About (4-methyl-5-oxo-2H-furan-2-yl) N-(2-ethylphenyl)carbamate

(4-methyl-5-oxo-2H-furan-2-yl) N-(2-ethylphenyl)carbamate (PubChem CID 67450607) has the molecular formula C14H15NO4 and a molecular weight of 261.28 g/mol. Its IUPAC name is (4-methyl-5-oxo-2H-furan-2-yl) N-(2-ethylphenyl)carbamate.

Molecular Properties

Compound Name(4-methyl-5-oxo-2H-furan-2-yl) N-(2-ethylphenyl)carbamate
PubChem CID67450607
Molecular FormulaC14H15NO4
Molecular Weight261.28 g/mol
Exact Mass261.10
IUPAC Name(4-methyl-5-oxo-2H-furan-2-yl) N-(2-ethylphenyl)carbamate
SMILESCCc1ccccc1NC(=O)OC1C=C(C)C(=O)O1
InChIInChI=1S/C14H15NO4/c1-3-10-6-4-5-7-11(10)15-14(17)19-12-8-9(2)13(16)18-12/h4-8,12H,3H2,1-2H3,(H,15,17)
InChIKeyCDDTYOGZEKJUSU-UHFFFAOYSA-N
XLogP2.63
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.28
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(4-methyl-5-oxo-2H-furan-2-yl)oxycarbonylamino]butanoic acid
CID 170277011
N,N'-bis(2-ethylphenyl)propanediamide
CID 3881876
N-(2-bromo-4-methylphenyl)-N'-(2-ethylphenyl)oxamide
CID 108530383
prop-2-ynyl N-(2-ethylphenyl)carbamate
CID 91733300
1-N,2-N-bis(2-ethylphenyl)benzene-1,2-dicarboxamide
CID 4151337
N-(2-ethylphenyl)-2,2,3,3-tetramethylcyclopropane-1-carboxamide
CID 71620607
1-N,4-N-bis(2-ethylphenyl)cyclohexane-1,4-dicarboxamide
CID 40704434
N-(2-ethylphenyl)-2,3-dihydro-1H-indole-3-carboxamide
CID 80565911
1-(2,5-dimethylphenyl)-3-(2-ethylphenyl)urea
CID 17270131
N-(2-ethylphenyl)-3-oxocyclobutane-1-carboxamide
CID 75395648
1,3-bis(2-ethylphenyl)thiourea
CID 3034485
N,N'-bis(2-ethylphenyl)-2,2-dimethylpropanediamide
CID 108968190

Frequently Asked Questions

What is the IUPAC name of (4-methyl-5-oxo-2H-furan-2-yl) N-(2-ethylphenyl)carbamate?
The IUPAC name of (4-methyl-5-oxo-2H-furan-2-yl) N-(2-ethylphenyl)carbamate (CID 67450607) is (4-methyl-5-oxo-2H-furan-2-yl) N-(2-ethylphenyl)carbamate.
What is the SMILES notation for (4-methyl-5-oxo-2H-furan-2-yl) N-(2-ethylphenyl)carbamate?
The canonical SMILES for (4-methyl-5-oxo-2H-furan-2-yl) N-(2-ethylphenyl)carbamate is CCc1ccccc1NC(=O)OC1C=C(C)C(=O)O1.
What is the InChIKey of (4-methyl-5-oxo-2H-furan-2-yl) N-(2-ethylphenyl)carbamate?
The InChIKey is CDDTYOGZEKJUSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO4/c1-3-10-6-4-5-7-11(10)15-14(17)19-12-8-9(2)13(16)18-12/h4-8,12H,3H2,1-2H3,(H,15,17).
What are the key properties of (4-methyl-5-oxo-2H-furan-2-yl) N-(2-ethylphenyl)carbamate?
(4-methyl-5-oxo-2H-furan-2-yl) N-(2-ethylphenyl)carbamate has a molecular weight of 261.28 g/mol, XLogP of 2.63, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methyl-5-oxo-2H-furan-2-yl) N-(2-ethylphenyl)carbamate is sourced from PubChem (CID 67450607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).