ethyl N-(5-ethyl-2-methylphenyl)carbamate

C12H17NO2 — CID 110604053

IUPACethyl N-(5-ethyl-2-methylphenyl)carbamate
SMILESCCOC(=O)Nc1cc(CC)ccc1C
InChIInChI=1S/C12H17NO2/c1-4-10-7-6-9(3)11(8-10)13-12(14)15-5-2/h6-8H,4-5H2,1-3H3,(H,13,14)
InChIKeyZSIKVNRYAWTNFU-UHFFFAOYSA-N
MW207.27 g/mol
LogP3.13
Rot. Bonds3

About ethyl N-(5-ethyl-2-methylphenyl)carbamate

ethyl N-(5-ethyl-2-methylphenyl)carbamate (PubChem CID 110604053) has the molecular formula C12H17NO2 and a molecular weight of 207.27 g/mol. Its IUPAC name is ethyl N-(5-ethyl-2-methylphenyl)carbamate.

Molecular Properties

Compound Nameethyl N-(5-ethyl-2-methylphenyl)carbamate
PubChem CID110604053
Molecular FormulaC12H17NO2
Molecular Weight207.27 g/mol
Exact Mass207.13
IUPAC Nameethyl N-(5-ethyl-2-methylphenyl)carbamate
SMILESCCOC(=O)Nc1cc(CC)ccc1C
InChIInChI=1S/C12H17NO2/c1-4-10-7-6-9(3)11(8-10)13-12(14)15-5-2/h6-8H,4-5H2,1-3H3,(H,13,14)
InChIKeyZSIKVNRYAWTNFU-UHFFFAOYSA-N
XLogP3.13
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 ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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ethyl N-[5-(N'-hydroxycarbamimidoyl)-2-methylphenyl]carbamate
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N-[5-(aminomethyl)-2-methylphenyl]-4-ethylbenzamide
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N-(5-ethyl-2-methylphenyl)-2-(2-methoxyphenoxy)acetamide
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ethyl N-[[5-(aminomethyl)-2-methylphenyl]sulfamoyl]carbamate
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ethyl N-[[3-[(ethoxycarbonylamino)carbamoylamino]-4-methylphenyl]carbamoylamino]carbamate
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Frequently Asked Questions

What is the IUPAC name of ethyl N-(5-ethyl-2-methylphenyl)carbamate?
The IUPAC name of ethyl N-(5-ethyl-2-methylphenyl)carbamate (CID 110604053) is ethyl N-(5-ethyl-2-methylphenyl)carbamate.
What is the SMILES notation for ethyl N-(5-ethyl-2-methylphenyl)carbamate?
The canonical SMILES for ethyl N-(5-ethyl-2-methylphenyl)carbamate is CCOC(=O)Nc1cc(CC)ccc1C.
What is the InChIKey of ethyl N-(5-ethyl-2-methylphenyl)carbamate?
The InChIKey is ZSIKVNRYAWTNFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2/c1-4-10-7-6-9(3)11(8-10)13-12(14)15-5-2/h6-8H,4-5H2,1-3H3,(H,13,14).
What are the key properties of ethyl N-(5-ethyl-2-methylphenyl)carbamate?
ethyl N-(5-ethyl-2-methylphenyl)carbamate has a molecular weight of 207.27 g/mol, XLogP of 3.13, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-(5-ethyl-2-methylphenyl)carbamate is sourced from PubChem (CID 110604053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).