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

C14H19NO3 — CID 134952452

IUPACN-[(1R,2S)-2-(methoxymethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
SMILESCOCO[C@H]1CCc2ccccc2[C@H]1NC(C)=O
InChIInChI=1S/C14H19NO3/c1-10(16)15-14-12-6-4-3-5-11(12)7-8-13(14)18-9-17-2/h3-6,13-14H,7-9H2,1-2H3,(H,15,16)/t13-,14+/m0/s1
InChIKeyNNTIGIGUSZPJTO-UONOGXRCSA-N
MW249.31 g/mol
LogP1.80
Rot. Bonds4

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

N-[(1R,2S)-2-(methoxymethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide (PubChem CID 134952452) has the molecular formula C14H19NO3 and a molecular weight of 249.31 g/mol. Its IUPAC name is N-[(1R,2S)-2-(methoxymethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide.

Molecular Properties

Compound NameN-[(1R,2S)-2-(methoxymethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
PubChem CID134952452
Molecular FormulaC14H19NO3
Molecular Weight249.31 g/mol
Exact Mass249.14
IUPAC NameN-[(1R,2S)-2-(methoxymethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
SMILESCOCO[C@H]1CCc2ccccc2[C@H]1NC(C)=O
InChIInChI=1S/C14H19NO3/c1-10(16)15-14-12-6-4-3-5-11(12)7-8-13(14)18-9-17-2/h3-6,13-14H,7-9H2,1-2H3,(H,15,16)/t13-,14+/m0/s1
InChIKeyNNTIGIGUSZPJTO-UONOGXRCSA-N
XLogP1.80
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

N-[(1R,2S)-2-iodo-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 139750970
2-methyl-N-[(1R,2S)-2-phenylmethoxy-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide
CID 42627892
(E)-N-[(1R,2R)-2-phenylmethoxy-1,2,3,4-tetrahydronaphthalen-1-yl]but-2-enamide
CID 42627898
methyl (1S,2S)-2-hydroxy-1,2,3,4-tetrahydronaphthalene-1-carboxylate
CID 102001294
(1-acetamido-2,3-dihydro-1H-inden-2-yl) methanesulfonate
CID 87314664
2-amino-3-methoxy-N-(2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)propanamide;hydrochloride
CID 120993734
N-[(1R)-2,3-dihydro-1H-inden-1-yl]-2-methoxyacetamide
CID 24895519
N-[(1R,2R)-2-chloro-2,3-dihydro-1H-inden-1-yl]acetamide
CID 139750983
2-(3-methoxy-3-methylbutoxy)-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 106665401
4-(2-fluoropropyl)-N-[(1R,2R)-2-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]piperazine-1-carboxamide
CID 167795420
N-ethyl-2-(3-methoxy-3-methylbutoxy)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 106665345
N-methyl-2-(4,4,4-trifluorobutoxy)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 82788201

Frequently Asked Questions

What is the IUPAC name of N-[(1R,2S)-2-(methoxymethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide?
The IUPAC name of N-[(1R,2S)-2-(methoxymethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide (CID 134952452) is N-[(1R,2S)-2-(methoxymethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide.
What is the SMILES notation for N-[(1R,2S)-2-(methoxymethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide?
The canonical SMILES for N-[(1R,2S)-2-(methoxymethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide is COCO[C@H]1CCc2ccccc2[C@H]1NC(C)=O.
What is the InChIKey of N-[(1R,2S)-2-(methoxymethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide?
The InChIKey is NNTIGIGUSZPJTO-UONOGXRCSA-N. The full InChI is InChI=1S/C14H19NO3/c1-10(16)15-14-12-6-4-3-5-11(12)7-8-13(14)18-9-17-2/h3-6,13-14H,7-9H2,1-2H3,(H,15,16)/t13-,14+/m0/s1.
What are the key properties of N-[(1R,2S)-2-(methoxymethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide?
N-[(1R,2S)-2-(methoxymethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide has a molecular weight of 249.31 g/mol, XLogP of 1.80, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2S)-2-(methoxymethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide is sourced from PubChem (CID 134952452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).