methyl N-benzyl-N-(7-methyl-1,2,3,4-tetrahydronaphthalen-2-yl)carbamate

C20H23NO2 — CID 23191735

IUPACmethyl N-benzyl-N-(7-methyl-1,2,3,4-tetrahydronaphthalen-2-yl)carbamate
SMILESCOC(=O)N(Cc1ccccc1)C1CCc2ccc(C)cc2C1
InChIInChI=1S/C20H23NO2/c1-15-8-9-17-10-11-19(13-18(17)12-15)21(20(22)23-2)14-16-6-4-3-5-7-16/h3-9,12,19H,10-11,13-14H2,1-2H3
InChIKeyDXERCGPHDICNEY-UHFFFAOYSA-N
MW309.41 g/mol
LogP4.12
Rot. Bonds3

About methyl N-benzyl-N-(7-methyl-1,2,3,4-tetrahydronaphthalen-2-yl)carbamate

methyl N-benzyl-N-(7-methyl-1,2,3,4-tetrahydronaphthalen-2-yl)carbamate (PubChem CID 23191735) has the molecular formula C20H23NO2 and a molecular weight of 309.41 g/mol. Its IUPAC name is methyl N-benzyl-N-(7-methyl-1,2,3,4-tetrahydronaphthalen-2-yl)carbamate.

Molecular Properties

Compound Namemethyl N-benzyl-N-(7-methyl-1,2,3,4-tetrahydronaphthalen-2-yl)carbamate
PubChem CID23191735
Molecular FormulaC20H23NO2
Molecular Weight309.41 g/mol
Exact Mass309.17
IUPAC Namemethyl N-benzyl-N-(7-methyl-1,2,3,4-tetrahydronaphthalen-2-yl)carbamate
SMILESCOC(=O)N(Cc1ccccc1)C1CCc2ccc(C)cc2C1
InChIInChI=1S/C20H23NO2/c1-15-8-9-17-10-11-19(13-18(17)12-15)21(20(22)23-2)14-16-6-4-3-5-7-16/h3-9,12,19H,10-11,13-14H2,1-2H3
InChIKeyDXERCGPHDICNEY-UHFFFAOYSA-N
XLogP4.12
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.41
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

methyl N-benzyl-N-(7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)carbamate
CID 23191739
tert-butyl N-benzyl-N-[3-[2-(dimethylamino)-2-oxoethoxy]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-yl]carbamate
CID 18007435
2-N-benzyl-2-N-methyl-1,2,3,4-tetrahydronaphthalene-2,7-diamine
CID 14798927
methyl N-benzyl-N-methoxycarbonylcarbamate
CID 23462472
(7R)-7-[benzyl(propyl)amino]-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 15703621
methyl 6-methyl-1,2,3,4-tetrahydronaphthalene-2-carboxylate
CID 54194488
N-[7-[methyl(2-phenylethyl)amino]-5,6,7,8-tetrahydronaphthalen-2-yl]acetamide
CID 54040083
1-benzyl-1-cyclopropyl-3-(2-fluoro-5-methylphenyl)urea
CID 86987326
N-[7-[bis(3-phenylpropyl)amino]-5,6,7,8-tetrahydronaphthalen-2-yl]acetamide
CID 54434056
(111C)methyl N,N-dibenzylcarbamate
CID 10106358
1',5-dimethylspiro[1,3-dihydroindene-2,5'-imidazolidine]-2',4'-dione;methyl N-benzyl-N-(2-oxopropyl)carbamate
CID 145495499
N-[(2R)-7-methyl-1,2,3,4-tetrahydronaphthalen-2-yl]acetamide
CID 101229888

Frequently Asked Questions

What is the IUPAC name of methyl N-benzyl-N-(7-methyl-1,2,3,4-tetrahydronaphthalen-2-yl)carbamate?
The IUPAC name of methyl N-benzyl-N-(7-methyl-1,2,3,4-tetrahydronaphthalen-2-yl)carbamate (CID 23191735) is methyl N-benzyl-N-(7-methyl-1,2,3,4-tetrahydronaphthalen-2-yl)carbamate.
What is the SMILES notation for methyl N-benzyl-N-(7-methyl-1,2,3,4-tetrahydronaphthalen-2-yl)carbamate?
The canonical SMILES for methyl N-benzyl-N-(7-methyl-1,2,3,4-tetrahydronaphthalen-2-yl)carbamate is COC(=O)N(Cc1ccccc1)C1CCc2ccc(C)cc2C1.
What is the InChIKey of methyl N-benzyl-N-(7-methyl-1,2,3,4-tetrahydronaphthalen-2-yl)carbamate?
The InChIKey is DXERCGPHDICNEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO2/c1-15-8-9-17-10-11-19(13-18(17)12-15)21(20(22)23-2)14-16-6-4-3-5-7-16/h3-9,12,19H,10-11,13-14H2,1-2H3.
What are the key properties of methyl N-benzyl-N-(7-methyl-1,2,3,4-tetrahydronaphthalen-2-yl)carbamate?
methyl N-benzyl-N-(7-methyl-1,2,3,4-tetrahydronaphthalen-2-yl)carbamate has a molecular weight of 309.41 g/mol, XLogP of 4.12, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-benzyl-N-(7-methyl-1,2,3,4-tetrahydronaphthalen-2-yl)carbamate is sourced from PubChem (CID 23191735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).