N-[2-(7-methoxy-1-methyl-3,4,6,7-tetrahydro-2H-naphthalen-1-yl)ethyl]-N-methylacetamide

C17H27NO2 — CID 163964626

IUPACN-[2-(7-methoxy-1-methyl-3,4,6,7-tetrahydro-2H-naphthalen-1-yl)ethyl]-N-methylacetamide
SMILESCOC1C=C2C(=CC1)CCCC2(C)CCN(C)C(C)=O
InChIInChI=1S/C17H27NO2/c1-13(19)18(3)11-10-17(2)9-5-6-14-7-8-15(20-4)12-16(14)17/h7,12,15H,5-6,8-11H2,1-4H3
InChIKeySKOTWZVCULCHQF-UHFFFAOYSA-N
MW277.41 g/mol
LogP3.32
Rot. Bonds4

About N-[2-(7-methoxy-1-methyl-3,4,6,7-tetrahydro-2H-naphthalen-1-yl)ethyl]-N-methylacetamide

N-[2-(7-methoxy-1-methyl-3,4,6,7-tetrahydro-2H-naphthalen-1-yl)ethyl]-N-methylacetamide (PubChem CID 163964626) has the molecular formula C17H27NO2 and a molecular weight of 277.41 g/mol. Its IUPAC name is N-[2-(7-methoxy-1-methyl-3,4,6,7-tetrahydro-2H-naphthalen-1-yl)ethyl]-N-methylacetamide.

Molecular Properties

Compound NameN-[2-(7-methoxy-1-methyl-3,4,6,7-tetrahydro-2H-naphthalen-1-yl)ethyl]-N-methylacetamide
PubChem CID163964626
Molecular FormulaC17H27NO2
Molecular Weight277.41 g/mol
Exact Mass277.20
IUPAC NameN-[2-(7-methoxy-1-methyl-3,4,6,7-tetrahydro-2H-naphthalen-1-yl)ethyl]-N-methylacetamide
SMILESCOC1C=C2C(=CC1)CCCC2(C)CCN(C)C(C)=O
InChIInChI=1S/C17H27NO2/c1-13(19)18(3)11-10-17(2)9-5-6-14-7-8-15(20-4)12-16(14)17/h7,12,15H,5-6,8-11H2,1-4H3
InChIKeySKOTWZVCULCHQF-UHFFFAOYSA-N
XLogP3.32
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2,2,2-trifluoro-N-(7-methoxy-4a-methyl-2,3,4,5-tetrahydro-1H-naphthalen-2-yl)-N-propylacetamide
CID 164068544
1-(1-Methoxyspiro[1,2,4,9-tetrahydrobenzo[7]annulene-3,4'-piperidine]-1'-yl)ethanone
CID 130371238
(2S)-2-[(4aS)-7-methoxy-4a,8-dimethyl-4,7-dihydro-3H-naphthalen-2-yl]-1-pyrrolidin-1-ylpropan-1-one
CID 102120471

Frequently Asked Questions

What is the IUPAC name of N-[2-(7-methoxy-1-methyl-3,4,6,7-tetrahydro-2H-naphthalen-1-yl)ethyl]-N-methylacetamide?
The IUPAC name of N-[2-(7-methoxy-1-methyl-3,4,6,7-tetrahydro-2H-naphthalen-1-yl)ethyl]-N-methylacetamide (CID 163964626) is N-[2-(7-methoxy-1-methyl-3,4,6,7-tetrahydro-2H-naphthalen-1-yl)ethyl]-N-methylacetamide.
What is the SMILES notation for N-[2-(7-methoxy-1-methyl-3,4,6,7-tetrahydro-2H-naphthalen-1-yl)ethyl]-N-methylacetamide?
The canonical SMILES for N-[2-(7-methoxy-1-methyl-3,4,6,7-tetrahydro-2H-naphthalen-1-yl)ethyl]-N-methylacetamide is COC1C=C2C(=CC1)CCCC2(C)CCN(C)C(C)=O.
What is the InChIKey of N-[2-(7-methoxy-1-methyl-3,4,6,7-tetrahydro-2H-naphthalen-1-yl)ethyl]-N-methylacetamide?
The InChIKey is SKOTWZVCULCHQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO2/c1-13(19)18(3)11-10-17(2)9-5-6-14-7-8-15(20-4)12-16(14)17/h7,12,15H,5-6,8-11H2,1-4H3.
What are the key properties of N-[2-(7-methoxy-1-methyl-3,4,6,7-tetrahydro-2H-naphthalen-1-yl)ethyl]-N-methylacetamide?
N-[2-(7-methoxy-1-methyl-3,4,6,7-tetrahydro-2H-naphthalen-1-yl)ethyl]-N-methylacetamide has a molecular weight of 277.41 g/mol, XLogP of 3.32, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(7-methoxy-1-methyl-3,4,6,7-tetrahydro-2H-naphthalen-1-yl)ethyl]-N-methylacetamide is sourced from PubChem (CID 163964626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).