2-(4-cyano-2,5-dimethoxyphenyl)ethyl carbamate

C12H14N2O4 — CID 175601576

IUPAC2-(4-cyano-2,5-dimethoxyphenyl)ethyl carbamate
SMILESCOc1cc(CCOC(N)=O)c(OC)cc1C#N
InChIInChI=1S/C12H14N2O4/c1-16-10-6-9(7-13)11(17-2)5-8(10)3-4-18-12(14)15/h5-6H,3-4H2,1-2H3,(H2,14,15)
InChIKeyOOPIZCMKHNZZRL-UHFFFAOYSA-N
MW250.25 g/mol
LogP1.21
Rot. Bonds5

About 2-(4-cyano-2,5-dimethoxyphenyl)ethyl carbamate

2-(4-cyano-2,5-dimethoxyphenyl)ethyl carbamate (PubChem CID 175601576) has the molecular formula C12H14N2O4 and a molecular weight of 250.25 g/mol. Its IUPAC name is 2-(4-cyano-2,5-dimethoxyphenyl)ethyl carbamate.

Molecular Properties

Compound Name2-(4-cyano-2,5-dimethoxyphenyl)ethyl carbamate
PubChem CID175601576
Molecular FormulaC12H14N2O4
Molecular Weight250.25 g/mol
Exact Mass250.10
IUPAC Name2-(4-cyano-2,5-dimethoxyphenyl)ethyl carbamate
SMILESCOc1cc(CCOC(N)=O)c(OC)cc1C#N
InChIInChI=1S/C12H14N2O4/c1-16-10-6-9(7-13)11(17-2)5-8(10)3-4-18-12(14)15/h5-6H,3-4H2,1-2H3,(H2,14,15)
InChIKeyOOPIZCMKHNZZRL-UHFFFAOYSA-N
XLogP1.21
TPSA94.57 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.25
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2,5-dimethoxyphenyl)ethyl carbamate
CID 175601601
5-(2-aminooxyethyl)-4-hydroxy-2-methoxybenzonitrile
CID 117297311
ethyl 2-(4-cyano-2-ethyl-5-methoxyphenyl)acetate
CID 134614472
2-[4-cyano-2-(difluoromethoxy)-5-methoxyphenyl]acetic acid
CID 118827849
4-cyano-5-methoxy-2-methylbenzamide
CID 171031371
3-(5-cyano-2-hydroxy-4-methoxyphenyl)propanoic acid
CID 117315274
ethyl 2-(2-cyano-4-ethyl-5-methoxyphenyl)acetate
CID 134615010
methyl 2-[5-(aminomethyl)-2-cyano-4-methoxyphenyl]acetate
CID 134640501
ethyl 2-(3-cyano-4-methoxyphenyl)acetate
CID 134652114
2-[(2,4,5-trimethoxyphenyl)methylamino]ethyl carbamate
CID 83210035
tert-butyl N-[1-(4-cyano-2,5-dimethoxyphenyl)propan-2-yl]carbamate
CID 165123500
ethyl 2-[5-(chloromethyl)-2-cyano-4-methoxyphenyl]acetate
CID 134655277

Frequently Asked Questions

What is the IUPAC name of 2-(4-cyano-2,5-dimethoxyphenyl)ethyl carbamate?
The IUPAC name of 2-(4-cyano-2,5-dimethoxyphenyl)ethyl carbamate (CID 175601576) is 2-(4-cyano-2,5-dimethoxyphenyl)ethyl carbamate.
What is the SMILES notation for 2-(4-cyano-2,5-dimethoxyphenyl)ethyl carbamate?
The canonical SMILES for 2-(4-cyano-2,5-dimethoxyphenyl)ethyl carbamate is COc1cc(CCOC(N)=O)c(OC)cc1C#N.
What is the InChIKey of 2-(4-cyano-2,5-dimethoxyphenyl)ethyl carbamate?
The InChIKey is OOPIZCMKHNZZRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O4/c1-16-10-6-9(7-13)11(17-2)5-8(10)3-4-18-12(14)15/h5-6H,3-4H2,1-2H3,(H2,14,15).
What are the key properties of 2-(4-cyano-2,5-dimethoxyphenyl)ethyl carbamate?
2-(4-cyano-2,5-dimethoxyphenyl)ethyl carbamate has a molecular weight of 250.25 g/mol, XLogP of 1.21, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyano-2,5-dimethoxyphenyl)ethyl carbamate is sourced from PubChem (CID 175601576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).