2-(3-ethoxy-1-methylnaphthalen-2-yl)ethylcarbamic acid

C16H19NO3 — CID 135380918

IUPAC2-(3-ethoxy-1-methylnaphthalen-2-yl)ethylcarbamic acid
SMILESCCOc1cc2ccccc2c(C)c1CCNC(=O)O
InChIInChI=1S/C16H19NO3/c1-3-20-15-10-12-6-4-5-7-13(12)11(2)14(15)8-9-17-16(18)19/h4-7,10,17H,3,8-9H2,1-2H3,(H,18,19)
InChIKeyYPBULOFXCZCOLP-UHFFFAOYSA-N
MW273.33 g/mol
LogP3.36
Rot. Bonds5

About 2-(3-ethoxy-1-methylnaphthalen-2-yl)ethylcarbamic acid

2-(3-ethoxy-1-methylnaphthalen-2-yl)ethylcarbamic acid (PubChem CID 135380918) has the molecular formula C16H19NO3 and a molecular weight of 273.33 g/mol. Its IUPAC name is 2-(3-ethoxy-1-methylnaphthalen-2-yl)ethylcarbamic acid.

Molecular Properties

Compound Name2-(3-ethoxy-1-methylnaphthalen-2-yl)ethylcarbamic acid
PubChem CID135380918
Molecular FormulaC16H19NO3
Molecular Weight273.33 g/mol
Exact Mass273.14
IUPAC Name2-(3-ethoxy-1-methylnaphthalen-2-yl)ethylcarbamic acid
SMILESCCOc1cc2ccccc2c(C)c1CCNC(=O)O
InChIInChI=1S/C16H19NO3/c1-3-20-15-10-12-6-4-5-7-13(12)11(2)14(15)8-9-17-16(18)19/h4-7,10,17H,3,8-9H2,1-2H3,(H,18,19)
InChIKeyYPBULOFXCZCOLP-UHFFFAOYSA-N
XLogP3.36
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.33
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-(3-ethoxy-1-methylnaphthalen-2-yl)ethylcarbamic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-ethoxy-4-[6-[2-(3-methoxy-1-methylnaphthalen-2-yl)ethylamino]pyrimidin-4-yl]benzoic acid
CID 135381203
3-[2-ethoxy-4-[6-[2-(3-methoxy-1-methylnaphthalen-2-yl)ethylamino]pyrimidin-4-yl]phenoxy]propanoic acid
CID 150391425
2-(3-ethoxy-1-fluoronaphthalen-2-yl)ethyl carbamate
CID 174985462
tert-butyl N-[2-(3-cyano-1-methylnaphthalen-2-yl)ethyl]carbamate
CID 142472857
2-(3-ethoxy-4-methoxyphenyl)ethylcarbamic acid
CID 16638088
5-[6-[2-(2,3-dimethylnaphthalen-1-yl)ethylamino]pyrimidin-4-yl]-3-ethoxythiophene-2-carboxylic acid
CID 146467092
3-(2-ethoxynaphthalen-1-yl)propanoic acid
CID 9149906
N-[2-(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-2-ethoxynaphthalene-1-carboxamide
CID 7080105
3-[(2-ethoxynaphthalen-1-yl)methylamino]propanoic acid
CID 102536565
N-[2-(5,8-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-2-ethoxynaphthalene-1-carboxamide
CID 7080101
[4-(butylcarbamoyloxy)-3-ethoxynaphthalen-1-yl] N-butylcarbamate
CID 19886837
3-(2-ethoxynaphthalen-1-yl)-3-oxopropanoic acid
CID 170886868

Frequently Asked Questions

What is the IUPAC name of 2-(3-ethoxy-1-methylnaphthalen-2-yl)ethylcarbamic acid?
The IUPAC name of 2-(3-ethoxy-1-methylnaphthalen-2-yl)ethylcarbamic acid (CID 135380918) is 2-(3-ethoxy-1-methylnaphthalen-2-yl)ethylcarbamic acid.
What is the SMILES notation for 2-(3-ethoxy-1-methylnaphthalen-2-yl)ethylcarbamic acid?
The canonical SMILES for 2-(3-ethoxy-1-methylnaphthalen-2-yl)ethylcarbamic acid is CCOc1cc2ccccc2c(C)c1CCNC(=O)O.
What is the InChIKey of 2-(3-ethoxy-1-methylnaphthalen-2-yl)ethylcarbamic acid?
The InChIKey is YPBULOFXCZCOLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO3/c1-3-20-15-10-12-6-4-5-7-13(12)11(2)14(15)8-9-17-16(18)19/h4-7,10,17H,3,8-9H2,1-2H3,(H,18,19).
What are the key properties of 2-(3-ethoxy-1-methylnaphthalen-2-yl)ethylcarbamic acid?
2-(3-ethoxy-1-methylnaphthalen-2-yl)ethylcarbamic acid has a molecular weight of 273.33 g/mol, XLogP of 3.36, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethoxy-1-methylnaphthalen-2-yl)ethylcarbamic acid is sourced from PubChem (CID 135380918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).