N-[(1S)-4-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide

C13H17NO2 — CID 70619318

IUPACN-[(1S)-4-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
SMILESCOC1CC[C@H](NC(C)=O)c2ccccc21
InChIInChI=1S/C13H17NO2/c1-9(15)14-12-7-8-13(16-2)11-6-4-3-5-10(11)12/h3-6,12-13H,7-8H2,1-2H3,(H,14,15)/t12-,13?/m0/s1
InChIKeyXMWNMVGPXWYVNH-UEWDXFNNSA-N
MW219.28 g/mol
LogP2.35
Rot. Bonds2

About N-[(1S)-4-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide

N-[(1S)-4-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide (PubChem CID 70619318) has the molecular formula C13H17NO2 and a molecular weight of 219.28 g/mol. Its IUPAC name is N-[(1S)-4-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide.

Molecular Properties

Compound NameN-[(1S)-4-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
PubChem CID70619318
Molecular FormulaC13H17NO2
Molecular Weight219.28 g/mol
Exact Mass219.13
IUPAC NameN-[(1S)-4-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
SMILESCOC1CC[C@H](NC(C)=O)c2ccccc21
InChIInChI=1S/C13H17NO2/c1-9(15)14-12-7-8-13(16-2)11-6-4-3-5-10(11)12/h3-6,12-13H,7-8H2,1-2H3,(H,14,15)/t12-,13?/m0/s1
InChIKeyXMWNMVGPXWYVNH-UEWDXFNNSA-N
XLogP2.35
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.28
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[(1R,4R)-4-(methylamino)-1,2,3,4-tetrahydronaphthalen-1-yl] acetate
CID 67461460
N-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)acetamide
CID 2753031
N-[(4R)-1,1-dioxo-3,4-dihydro-2H-thiochromen-4-yl]acetamide
CID 51877530
ethyl 4-(4-acetamido-1,2,3,4-tetrahydronaphthalen-1-yl)benzoate
CID 138512223
propan-2-yl 4-[(1R)-4-acetamido-1,2,3,4-tetrahydronaphthalen-1-yl]benzoate
CID 138512233
propan-2-yl 4-[(1R,4R)-4-acetamido-1,2,3,4-tetrahydronaphthalen-1-yl]benzoate
CID 147906659
N-[4-(3-chloro-4-methylphenyl)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 77395507
N-[(1S)-3-oxo-1,2-dihydroinden-1-yl]acetamide
CID 93234150
1-(4-methoxy-3,4-dihydro-2H-quinolin-1-yl)ethanone
CID 110709451
N-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-4-yl)acetamide
CID 110603917
N-[(1S)-spiro[1,2-dihydroindene-3,1'-cyclohexane]-1-yl]acetamide
CID 158697736
methyl 2-[(1S,3R)-3-methoxy-2,3-dihydro-1H-inden-1-yl]acetate
CID 15863455

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-4-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide?
The IUPAC name of N-[(1S)-4-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide (CID 70619318) is N-[(1S)-4-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide.
What is the SMILES notation for N-[(1S)-4-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide?
The canonical SMILES for N-[(1S)-4-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide is COC1CC[C@H](NC(C)=O)c2ccccc21.
What is the InChIKey of N-[(1S)-4-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide?
The InChIKey is XMWNMVGPXWYVNH-UEWDXFNNSA-N. The full InChI is InChI=1S/C13H17NO2/c1-9(15)14-12-7-8-13(16-2)11-6-4-3-5-10(11)12/h3-6,12-13H,7-8H2,1-2H3,(H,14,15)/t12-,13?/m0/s1.
What are the key properties of N-[(1S)-4-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide?
N-[(1S)-4-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide has a molecular weight of 219.28 g/mol, XLogP of 2.35, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-4-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide is sourced from PubChem (CID 70619318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).