2-(3-ethoxy-4-methoxyphenyl)ethylcarbamic acid

C12H17NO4 — CID 16638088

IUPAC2-(3-ethoxy-4-methoxyphenyl)ethylcarbamic acid
SMILESCCOc1cc(CCNC(=O)O)ccc1OC
InChIInChI=1S/C12H17NO4/c1-3-17-11-8-9(4-5-10(11)16-2)6-7-13-12(14)15/h4-5,8,13H,3,6-7H2,1-2H3,(H,14,15)
InChIKeyXPSDOGJYUPESDW-UHFFFAOYSA-N
MW239.27 g/mol
LogP1.90
Rot. Bonds6

About 2-(3-ethoxy-4-methoxyphenyl)ethylcarbamic acid

2-(3-ethoxy-4-methoxyphenyl)ethylcarbamic acid (PubChem CID 16638088) has the molecular formula C12H17NO4 and a molecular weight of 239.27 g/mol. Its IUPAC name is 2-(3-ethoxy-4-methoxyphenyl)ethylcarbamic acid.

Molecular Properties

Compound Name2-(3-ethoxy-4-methoxyphenyl)ethylcarbamic acid
PubChem CID16638088
Molecular FormulaC12H17NO4
Molecular Weight239.27 g/mol
Exact Mass239.12
IUPAC Name2-(3-ethoxy-4-methoxyphenyl)ethylcarbamic acid
SMILESCCOc1cc(CCNC(=O)O)ccc1OC
InChIInChI=1S/C12H17NO4/c1-3-17-11-8-9(4-5-10(11)16-2)6-7-13-12(14)15/h4-5,8,13H,3,6-7H2,1-2H3,(H,14,15)
InChIKeyXPSDOGJYUPESDW-UHFFFAOYSA-N
XLogP1.90
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.27
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3,4-diethoxyphenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]propanamide
CID 38001101
N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(4-ethoxy-3-methoxyphenyl)propanamide
CID 19221763
ethyl N-[2-(3,4-diethoxyphenyl)ethyl]carbamate
CID 60637680
2-(3-hydroxy-4-methoxyphenyl)ethylcarbamic acid
CID 174214574
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(2-ethoxyphenoxy)acetamide
CID 19177361
1-[2-(3,4-dimethoxyphenyl)ethyl]-3-[(2-ethoxyphenoxy)methyl]urea
CID 108877150
3-(3-ethoxy-4-methoxyphenyl)-N-ethylpropanamide
CID 58655197
1-[2-(3,4-diethoxyphenyl)ethyl]-3-(methoxymethyl)urea
CID 108893630
1-(3-chloropropyl)-3-[2-(4-ethoxy-3-methoxyphenyl)ethyl]urea
CID 108891565
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(4-ethoxyphenyl)acetamide
CID 17386439
methyl 3-[2-(4-ethoxy-3-methoxyphenyl)ethylcarbamoylamino]propanoate
CID 108891767
2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxoacetic acid
CID 10467430

Frequently Asked Questions

What is the IUPAC name of 2-(3-ethoxy-4-methoxyphenyl)ethylcarbamic acid?
The IUPAC name of 2-(3-ethoxy-4-methoxyphenyl)ethylcarbamic acid (CID 16638088) is 2-(3-ethoxy-4-methoxyphenyl)ethylcarbamic acid.
What is the SMILES notation for 2-(3-ethoxy-4-methoxyphenyl)ethylcarbamic acid?
The canonical SMILES for 2-(3-ethoxy-4-methoxyphenyl)ethylcarbamic acid is CCOc1cc(CCNC(=O)O)ccc1OC.
What is the InChIKey of 2-(3-ethoxy-4-methoxyphenyl)ethylcarbamic acid?
The InChIKey is XPSDOGJYUPESDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO4/c1-3-17-11-8-9(4-5-10(11)16-2)6-7-13-12(14)15/h4-5,8,13H,3,6-7H2,1-2H3,(H,14,15).
What are the key properties of 2-(3-ethoxy-4-methoxyphenyl)ethylcarbamic acid?
2-(3-ethoxy-4-methoxyphenyl)ethylcarbamic acid has a molecular weight of 239.27 g/mol, XLogP of 1.90, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethoxy-4-methoxyphenyl)ethylcarbamic acid is sourced from PubChem (CID 16638088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).