phenyl N-[2-(3,4-dimethoxyphenyl)ethyl]carbamate

C17H19NO4 — CID 887553

IUPACphenyl N-[2-(3,4-dimethoxyphenyl)ethyl]carbamate
SMILESCOc1ccc(CCNC(=O)Oc2ccccc2)cc1OC
InChIInChI=1S/C17H19NO4/c1-20-15-9-8-13(12-16(15)21-2)10-11-18-17(19)22-14-6-4-3-5-7-14/h3-9,12H,10-11H2,1-2H3,(H,18,19)
InChIKeyREERUHWZMHJWGG-UHFFFAOYSA-N
MW301.34 g/mol
LogP3.03
Rot. Bonds6

About phenyl N-[2-(3,4-dimethoxyphenyl)ethyl]carbamate

phenyl N-[2-(3,4-dimethoxyphenyl)ethyl]carbamate (PubChem CID 887553) has the molecular formula C17H19NO4 and a molecular weight of 301.34 g/mol. Its IUPAC name is phenyl N-[2-(3,4-dimethoxyphenyl)ethyl]carbamate.

Molecular Properties

Compound Namephenyl N-[2-(3,4-dimethoxyphenyl)ethyl]carbamate
PubChem CID887553
Molecular FormulaC17H19NO4
Molecular Weight301.34 g/mol
Exact Mass301.13
IUPAC Namephenyl N-[2-(3,4-dimethoxyphenyl)ethyl]carbamate
SMILESCOc1ccc(CCNC(=O)Oc2ccccc2)cc1OC
InChIInChI=1S/C17H19NO4/c1-20-15-9-8-13(12-16(15)21-2)10-11-18-17(19)22-14-6-4-3-5-7-14/h3-9,12H,10-11H2,1-2H3,(H,18,19)
InChIKeyREERUHWZMHJWGG-UHFFFAOYSA-N
XLogP3.03
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.34
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of phenyl N-[2-(3,4-dimethoxyphenyl)ethyl]carbamate?
The IUPAC name of phenyl N-[2-(3,4-dimethoxyphenyl)ethyl]carbamate (CID 887553) is phenyl N-[2-(3,4-dimethoxyphenyl)ethyl]carbamate.
What is the SMILES notation for phenyl N-[2-(3,4-dimethoxyphenyl)ethyl]carbamate?
The canonical SMILES for phenyl N-[2-(3,4-dimethoxyphenyl)ethyl]carbamate is COc1ccc(CCNC(=O)Oc2ccccc2)cc1OC.
What is the InChIKey of phenyl N-[2-(3,4-dimethoxyphenyl)ethyl]carbamate?
The InChIKey is REERUHWZMHJWGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO4/c1-20-15-9-8-13(12-16(15)21-2)10-11-18-17(19)22-14-6-4-3-5-7-14/h3-9,12H,10-11H2,1-2H3,(H,18,19).
What are the key properties of phenyl N-[2-(3,4-dimethoxyphenyl)ethyl]carbamate?
phenyl N-[2-(3,4-dimethoxyphenyl)ethyl]carbamate has a molecular weight of 301.34 g/mol, XLogP of 3.03, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl N-[2-(3,4-dimethoxyphenyl)ethyl]carbamate is sourced from PubChem (CID 887553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).