ethane;(5-ethoxy-1,2,3,4-tetrahydronaphthalen-2-yl)methyl N,N-dimethylcarbamate

C18H29NO3 — CID 90946427

IUPACethane;(5-ethoxy-1,2,3,4-tetrahydronaphthalen-2-yl)methyl N,N-dimethylcarbamate
SMILESCC.CCOc1cccc2c1CCC(COC(=O)N(C)C)C2
InChIInChI=1S/C16H23NO3.C2H6/c1-4-19-15-7-5-6-13-10-12(8-9-14(13)15)11-20-16(18)17(2)3;1-2/h5-7,12H,4,8-11H2,1-3H3;1-2H3
InChIKeyJPERTOKMQGDIQJ-UHFFFAOYSA-N
MW307.43 g/mol
LogP3.91
Rot. Bonds4

About ethane;(5-ethoxy-1,2,3,4-tetrahydronaphthalen-2-yl)methyl N,N-dimethylcarbamate

ethane;(5-ethoxy-1,2,3,4-tetrahydronaphthalen-2-yl)methyl N,N-dimethylcarbamate (PubChem CID 90946427) has the molecular formula C18H29NO3 and a molecular weight of 307.43 g/mol. Its IUPAC name is ethane;(5-ethoxy-1,2,3,4-tetrahydronaphthalen-2-yl)methyl N,N-dimethylcarbamate.

Molecular Properties

Compound Nameethane;(5-ethoxy-1,2,3,4-tetrahydronaphthalen-2-yl)methyl N,N-dimethylcarbamate
PubChem CID90946427
Molecular FormulaC18H29NO3
Molecular Weight307.43 g/mol
Exact Mass307.21
IUPAC Nameethane;(5-ethoxy-1,2,3,4-tetrahydronaphthalen-2-yl)methyl N,N-dimethylcarbamate
SMILESCC.CCOc1cccc2c1CCC(COC(=O)N(C)C)C2
InChIInChI=1S/C16H23NO3.C2H6/c1-4-19-15-7-5-6-13-10-12(8-9-14(13)15)11-20-16(18)17(2)3;1-2/h5-7,12H,4,8-11H2,1-3H3;1-2H3
InChIKeyJPERTOKMQGDIQJ-UHFFFAOYSA-N
XLogP3.91
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.43
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze ethane;(5-ethoxy-1,2,3,4-tetrahydronaphthalen-2-yl)methyl N,N-dimethylcarbamate 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-[[6-(aminomethyl)-5,6,7,8-tetrahydronaphthalen-1-yl]oxy]acetic acid
CID 23355312
ethyl 2-[(6-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)oxy]acetate
CID 67613778
2-[[6-[[3,3-diphenylpropanoyl(methyl)amino]methyl]-5,6,7,8-tetrahydronaphthalen-1-yl]oxy]acetic acid
CID 23355363
2-[[6-[[(2-amino-2,2-diphenylacetyl)-methylamino]methyl]-5,6,7,8-tetrahydronaphthalen-1-yl]oxy]acetic acid
CID 67710383
methyl 2-(5-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)acetate
CID 15237997
2-[[6-(3-hydroxypropyl)-5,6,7,8-tetrahydronaphthalen-1-yl]oxy]acetic acid
CID 19004218
[6-(hydroxymethyl)-5,6,7,8-tetrahydronaphthalen-1-yl] 2-hydroxyacetate
CID 67758783
2-[[6-[2-[[2-(N-benzylanilino)acetyl]-methylamino]ethyl]-5,6,7,8-tetrahydronaphthalen-1-yl]oxy]acetic acid
CID 15230242
2-[[6-[[benzhydrylcarbamoyl(methyl)amino]methyl]-5,6,7,8-tetrahydronaphthalen-1-yl]oxy]acetate
CID 23355304
methyl 2-[[6-[[benzhydrylcarbamoyl(methyl)amino]methyl]-5,6,7,8-tetrahydronaphthalen-1-yl]oxy]acetate
CID 139633003
sodium 2-[[6-(diphenylcarbamoyloxymethyl)-7-hydroxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-1-yl]oxy]acetate
CID 139899873
(3-amino-2,3-dihydro-1H-inden-4-yl) N,N-dimethylcarbamate;hydrochloride
CID 45265587

Frequently Asked Questions

What is the IUPAC name of ethane;(5-ethoxy-1,2,3,4-tetrahydronaphthalen-2-yl)methyl N,N-dimethylcarbamate?
The IUPAC name of ethane;(5-ethoxy-1,2,3,4-tetrahydronaphthalen-2-yl)methyl N,N-dimethylcarbamate (CID 90946427) is ethane;(5-ethoxy-1,2,3,4-tetrahydronaphthalen-2-yl)methyl N,N-dimethylcarbamate.
What is the SMILES notation for ethane;(5-ethoxy-1,2,3,4-tetrahydronaphthalen-2-yl)methyl N,N-dimethylcarbamate?
The canonical SMILES for ethane;(5-ethoxy-1,2,3,4-tetrahydronaphthalen-2-yl)methyl N,N-dimethylcarbamate is CC.CCOc1cccc2c1CCC(COC(=O)N(C)C)C2.
What is the InChIKey of ethane;(5-ethoxy-1,2,3,4-tetrahydronaphthalen-2-yl)methyl N,N-dimethylcarbamate?
The InChIKey is JPERTOKMQGDIQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO3.C2H6/c1-4-19-15-7-5-6-13-10-12(8-9-14(13)15)11-20-16(18)17(2)3;1-2/h5-7,12H,4,8-11H2,1-3H3;1-2H3.
What are the key properties of ethane;(5-ethoxy-1,2,3,4-tetrahydronaphthalen-2-yl)methyl N,N-dimethylcarbamate?
ethane;(5-ethoxy-1,2,3,4-tetrahydronaphthalen-2-yl)methyl N,N-dimethylcarbamate has a molecular weight of 307.43 g/mol, XLogP of 3.91, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(5-ethoxy-1,2,3,4-tetrahydronaphthalen-2-yl)methyl N,N-dimethylcarbamate is sourced from PubChem (CID 90946427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).