2-(2-methoxyethoxy)-N-[3-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]oxy]propyl]acetamide

C18H27NO4 — CID 95378094

IUPAC2-(2-methoxyethoxy)-N-[3-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]oxy]propyl]acetamide
SMILESCOCCOCC(=O)NCCCO[C@@H]1CCCc2ccccc21
InChIInChI=1S/C18H27NO4/c1-21-12-13-22-14-18(20)19-10-5-11-23-17-9-4-7-15-6-2-3-8-16(15)17/h2-3,6,8,17H,4-5,7,9-14H2,1H3,(H,19,20)/t17-/m1/s1
InChIKeyUWXJWBPRTJIVAR-QGZVFWFLSA-N
MW321.42 g/mol
LogP2.25
Rot. Bonds10

About 2-(2-methoxyethoxy)-N-[3-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]oxy]propyl]acetamide

2-(2-methoxyethoxy)-N-[3-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]oxy]propyl]acetamide (PubChem CID 95378094) has the molecular formula C18H27NO4 and a molecular weight of 321.42 g/mol. Its IUPAC name is 2-(2-methoxyethoxy)-N-[3-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]oxy]propyl]acetamide.

Molecular Properties

Compound Name2-(2-methoxyethoxy)-N-[3-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]oxy]propyl]acetamide
PubChem CID95378094
Molecular FormulaC18H27NO4
Molecular Weight321.42 g/mol
Exact Mass321.19
IUPAC Name2-(2-methoxyethoxy)-N-[3-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]oxy]propyl]acetamide
SMILESCOCCOCC(=O)NCCCO[C@@H]1CCCc2ccccc21
InChIInChI=1S/C18H27NO4/c1-21-12-13-22-14-18(20)19-10-5-11-23-17-9-4-7-15-6-2-3-8-16(15)17/h2-3,6,8,17H,4-5,7,9-14H2,1H3,(H,19,20)/t17-/m1/s1
InChIKeyUWXJWBPRTJIVAR-QGZVFWFLSA-N
XLogP2.25
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.42
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-amino-N-[3-(1,2,3,4-tetrahydronaphthalen-1-yloxy)propyl]acetamide;hydrochloride
CID 119325756
1-ethyl-2-[3-(2-methoxyethoxy)propyl]-3-[3-(1,2,3,4-tetrahydronaphthalen-1-yloxy)propyl]guanidine;hydroiodide
CID 111579470
4-amino-3-methoxy-N-[3-(1,2,3,4-tetrahydronaphthalen-1-yloxy)propyl]butanamide
CID 120592406
4-[3-(1,2,3,4-tetrahydronaphthalen-1-yloxy)propylcarbamoyl]cyclohexane-1-carboxylic acid
CID 120673678
2-(oxan-4-yl)-N-[3-(1,2,3,4-tetrahydronaphthalen-1-yloxy)propyl]acetamide
CID 119032738
2-methyl-3-(methylamino)-N-[3-(1,2,3,4-tetrahydronaphthalen-1-yloxy)propyl]propanamide
CID 119787357
3-(1-methylpyrazol-4-yl)-N-[3-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]oxy]propyl]propanamide
CID 95378072
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[3-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]oxy]propyl]acetamide
CID 95378104
2-[(2R)-oxolan-2-yl]-N-[3-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]oxy]propyl]acetamide
CID 95378100
4-[3-(1,2,3,4-tetrahydronaphthalen-1-yloxy)propylcarbamoylamino]butanoic acid
CID 122002145
1-[(2R)-1-hydroxypropan-2-yl]-3-[3-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]oxy]propyl]urea
CID 95906107
1-[(2R)-4-hydroxybutan-2-yl]-3-[3-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]oxy]propyl]urea
CID 97086994

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyethoxy)-N-[3-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]oxy]propyl]acetamide?
The IUPAC name of 2-(2-methoxyethoxy)-N-[3-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]oxy]propyl]acetamide (CID 95378094) is 2-(2-methoxyethoxy)-N-[3-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]oxy]propyl]acetamide.
What is the SMILES notation for 2-(2-methoxyethoxy)-N-[3-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]oxy]propyl]acetamide?
The canonical SMILES for 2-(2-methoxyethoxy)-N-[3-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]oxy]propyl]acetamide is COCCOCC(=O)NCCCO[C@@H]1CCCc2ccccc21.
What is the InChIKey of 2-(2-methoxyethoxy)-N-[3-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]oxy]propyl]acetamide?
The InChIKey is UWXJWBPRTJIVAR-QGZVFWFLSA-N. The full InChI is InChI=1S/C18H27NO4/c1-21-12-13-22-14-18(20)19-10-5-11-23-17-9-4-7-15-6-2-3-8-16(15)17/h2-3,6,8,17H,4-5,7,9-14H2,1H3,(H,19,20)/t17-/m1/s1.
What are the key properties of 2-(2-methoxyethoxy)-N-[3-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]oxy]propyl]acetamide?
2-(2-methoxyethoxy)-N-[3-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]oxy]propyl]acetamide has a molecular weight of 321.42 g/mol, XLogP of 2.25, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyethoxy)-N-[3-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]oxy]propyl]acetamide is sourced from PubChem (CID 95378094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).