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

C20H23NO3 — CID 23191739

IUPACmethyl N-benzyl-N-(7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)carbamate
SMILESCOC(=O)N(Cc1ccccc1)C1CCc2ccc(OC)cc2C1
InChIInChI=1S/C20H23NO3/c1-23-19-11-9-16-8-10-18(12-17(16)13-19)21(20(22)24-2)14-15-6-4-3-5-7-15/h3-7,9,11,13,18H,8,10,12,14H2,1-2H3
InChIKeyRMRVKHWYDLPJMJ-UHFFFAOYSA-N
MW325.41 g/mol
LogP3.82
Rot. Bonds4

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

methyl N-benzyl-N-(7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)carbamate (PubChem CID 23191739) has the molecular formula C20H23NO3 and a molecular weight of 325.41 g/mol. Its IUPAC name is methyl N-benzyl-N-(7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)carbamate.

Molecular Properties

Compound Namemethyl N-benzyl-N-(7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)carbamate
PubChem CID23191739
Molecular FormulaC20H23NO3
Molecular Weight325.41 g/mol
Exact Mass325.17
IUPAC Namemethyl N-benzyl-N-(7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)carbamate
SMILESCOC(=O)N(Cc1ccccc1)C1CCc2ccc(OC)cc2C1
InChIInChI=1S/C20H23NO3/c1-23-19-11-9-16-8-10-18(12-17(16)13-19)21(20(22)24-2)14-15-6-4-3-5-7-15/h3-7,9,11,13,18H,8,10,12,14H2,1-2H3
InChIKeyRMRVKHWYDLPJMJ-UHFFFAOYSA-N
XLogP3.82
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl N-benzyl-N-(7-methyl-1,2,3,4-tetrahydronaphthalen-2-yl)carbamate
CID 23191735
2-[cyclopropyl-(7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)amino]acetic acid
CID 115511160
2-[ethyl-(7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)amino]acetic acid
CID 115511171
tert-butyl N-benzyl-N-[3-[2-(dimethylamino)-2-oxoethoxy]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-yl]carbamate
CID 18007435
4-[(7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)-methylamino]butanoic acid
CID 115511176
2-[ethyl-(7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)amino]-2-methylpropanoic acid
CID 115511164
(2S)-7-methoxy-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid
CID 10632089
(2S)-1-[benzyl-(3-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-yl)amino]-3-phenoxypropan-2-ol
CID 57027143
4-[[benzyl-[2-(6-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)acetyl]amino]methyl]benzoic acid
CID 131678563
3-[(7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)amino]-N,N-dimethylpropanamide
CID 115510410
4-[(7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)-propylamino]-N-propan-2-ylpiperidine-1-carboxamide
CID 69361135
N-(7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)-2-piperazin-1-yl-N-propylacetamide
CID 45139976

Frequently Asked Questions

What is the IUPAC name of methyl N-benzyl-N-(7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)carbamate?
The IUPAC name of methyl N-benzyl-N-(7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)carbamate (CID 23191739) is methyl N-benzyl-N-(7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)carbamate.
What is the SMILES notation for methyl N-benzyl-N-(7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)carbamate?
The canonical SMILES for methyl N-benzyl-N-(7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)carbamate is COC(=O)N(Cc1ccccc1)C1CCc2ccc(OC)cc2C1.
What is the InChIKey of methyl N-benzyl-N-(7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)carbamate?
The InChIKey is RMRVKHWYDLPJMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO3/c1-23-19-11-9-16-8-10-18(12-17(16)13-19)21(20(22)24-2)14-15-6-4-3-5-7-15/h3-7,9,11,13,18H,8,10,12,14H2,1-2H3.
What are the key properties of methyl N-benzyl-N-(7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)carbamate?
methyl N-benzyl-N-(7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)carbamate has a molecular weight of 325.41 g/mol, XLogP of 3.82, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-benzyl-N-(7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)carbamate is sourced from PubChem (CID 23191739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).