methyl N-(4-cyano-2-ethylphenyl)carbamate

C11H12N2O2 — CID 154930446

IUPACmethyl N-(4-cyano-2-ethylphenyl)carbamate
SMILESCCc1cc(C#N)ccc1NC(=O)OC
InChIInChI=1S/C11H12N2O2/c1-3-9-6-8(7-12)4-5-10(9)13-11(14)15-2/h4-6H,3H2,1-2H3,(H,13,14)
InChIKeyDPCRIUIKZJKLMK-UHFFFAOYSA-N
MW204.23 g/mol
LogP2.30
Rot. Bonds2

About methyl N-(4-cyano-2-ethylphenyl)carbamate

methyl N-(4-cyano-2-ethylphenyl)carbamate (PubChem CID 154930446) has the molecular formula C11H12N2O2 and a molecular weight of 204.23 g/mol. Its IUPAC name is methyl N-(4-cyano-2-ethylphenyl)carbamate.

Molecular Properties

Compound Namemethyl N-(4-cyano-2-ethylphenyl)carbamate
PubChem CID154930446
Molecular FormulaC11H12N2O2
Molecular Weight204.23 g/mol
Exact Mass204.09
IUPAC Namemethyl N-(4-cyano-2-ethylphenyl)carbamate
SMILESCCc1cc(C#N)ccc1NC(=O)OC
InChIInChI=1S/C11H12N2O2/c1-3-9-6-8(7-12)4-5-10(9)13-11(14)15-2/h4-6H,3H2,1-2H3,(H,13,14)
InChIKeyDPCRIUIKZJKLMK-UHFFFAOYSA-N
XLogP2.30
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.23
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl N-(5-cyano-2-methylphenyl)carbamate
CID 62065723
methyl N-[(5-cyano-2-methylphenyl)methyl]carbamate
CID 90111724
ethyl N-[4-cyano-2-(trifluoromethyl)phenyl]carbamate
CID 64591088
1-(4-bromo-2-ethylphenyl)-3-(4-cyanophenyl)urea
CID 81288018
1-(4-cyano-2-ethylphenyl)-3-[(3R)-piperidin-3-yl]urea;hydrochloride
CID 154900996
3-ethyl-4-(hydroxymethyl)benzonitrile
CID 24971956
3-(4-cyano-2-methoxyphenyl)-1,1-diethylurea
CID 104844636
(5-cyano-2-methoxyphenyl)carbamic acid
CID 91205767
N-(4-bromo-2-ethylphenyl)-5-cyanopyridine-2-carboxamide
CID 81003561
2-(4-cyano-2-methoxyanilino)-N-pentan-2-ylacetamide
CID 104843738
N-(4-cyano-2-methoxyphenyl)-2,2-dimethylbutanamide
CID 113460379
N-(4-cyano-2-methoxyphenyl)-2-phenylacetamide
CID 104848948

Frequently Asked Questions

What is the IUPAC name of methyl N-(4-cyano-2-ethylphenyl)carbamate?
The IUPAC name of methyl N-(4-cyano-2-ethylphenyl)carbamate (CID 154930446) is methyl N-(4-cyano-2-ethylphenyl)carbamate.
What is the SMILES notation for methyl N-(4-cyano-2-ethylphenyl)carbamate?
The canonical SMILES for methyl N-(4-cyano-2-ethylphenyl)carbamate is CCc1cc(C#N)ccc1NC(=O)OC.
What is the InChIKey of methyl N-(4-cyano-2-ethylphenyl)carbamate?
The InChIKey is DPCRIUIKZJKLMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O2/c1-3-9-6-8(7-12)4-5-10(9)13-11(14)15-2/h4-6H,3H2,1-2H3,(H,13,14).
What are the key properties of methyl N-(4-cyano-2-ethylphenyl)carbamate?
methyl N-(4-cyano-2-ethylphenyl)carbamate has a molecular weight of 204.23 g/mol, XLogP of 2.30, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-(4-cyano-2-ethylphenyl)carbamate is sourced from PubChem (CID 154930446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).