2-(3-methoxyanilino)-N-(2-methoxyethyl)acetamide

C12H18N2O3 — CID 39335252

IUPAC2-(3-methoxyanilino)-N-(2-methoxyethyl)acetamide
SMILESCOCCNC(=O)CNc1cccc(OC)c1
InChIInChI=1S/C12H18N2O3/c1-16-7-6-13-12(15)9-14-10-4-3-5-11(8-10)17-2/h3-5,8,14H,6-7,9H2,1-2H3,(H,13,15)
InChIKeyXHQHSGLHEMEOMA-UHFFFAOYSA-N
MW238.29 g/mol
LogP0.87
Rot. Bonds7

About 2-(3-methoxyanilino)-N-(2-methoxyethyl)acetamide

2-(3-methoxyanilino)-N-(2-methoxyethyl)acetamide (PubChem CID 39335252) has the molecular formula C12H18N2O3 and a molecular weight of 238.29 g/mol. Its IUPAC name is 2-(3-methoxyanilino)-N-(2-methoxyethyl)acetamide.

Molecular Properties

Compound Name2-(3-methoxyanilino)-N-(2-methoxyethyl)acetamide
PubChem CID39335252
Molecular FormulaC12H18N2O3
Molecular Weight238.29 g/mol
Exact Mass238.13
IUPAC Name2-(3-methoxyanilino)-N-(2-methoxyethyl)acetamide
SMILESCOCCNC(=O)CNc1cccc(OC)c1
InChIInChI=1S/C12H18N2O3/c1-16-7-6-13-12(15)9-14-10-4-3-5-11(8-10)17-2/h3-5,8,14H,6-7,9H2,1-2H3,(H,13,15)
InChIKeyXHQHSGLHEMEOMA-UHFFFAOYSA-N
XLogP0.87
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(3-methoxyanilino)-N-[2-(3-methoxyphenyl)ethyl]acetamide
CID 109001073
2-(3-chloroanilino)-N-(2-methoxyethyl)acetamide
CID 39347237
N-(2-methoxyethyl)-2-[3-(trifluoromethyl)anilino]acetamide
CID 54833709
2-(3-methoxyanilino)-N-(2,2,2-trifluoroethyl)acetamide
CID 60646925
N-(2-methoxyethyl)-2-(3-nitroanilino)acetamide
CID 113218646
3-(3-methoxyanilino)-N-[2-(4-methoxyphenoxy)ethyl]propanamide
CID 109031059
2-[3-(2-phenoxyethoxy)anilino]-N-propylacetamide
CID 54825848
N-[2-(4-methoxyphenoxy)ethyl]-2-[3-(trifluoromethyl)anilino]acetamide
CID 56540495
N-(2,6-dichlorophenyl)-2-(3-methoxyanilino)acetamide
CID 43405262
N-[3-[[2-(3-methoxyanilino)acetyl]amino]phenyl]benzamide
CID 54814514
3-methoxy-N-[3-(2-methoxyethoxy)propyl]aniline
CID 103409360
2-(4-chloroanilino)-N-(2-methoxyethyl)acetamide
CID 39347241

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxyanilino)-N-(2-methoxyethyl)acetamide?
The IUPAC name of 2-(3-methoxyanilino)-N-(2-methoxyethyl)acetamide (CID 39335252) is 2-(3-methoxyanilino)-N-(2-methoxyethyl)acetamide.
What is the SMILES notation for 2-(3-methoxyanilino)-N-(2-methoxyethyl)acetamide?
The canonical SMILES for 2-(3-methoxyanilino)-N-(2-methoxyethyl)acetamide is COCCNC(=O)CNc1cccc(OC)c1.
What is the InChIKey of 2-(3-methoxyanilino)-N-(2-methoxyethyl)acetamide?
The InChIKey is XHQHSGLHEMEOMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3/c1-16-7-6-13-12(15)9-14-10-4-3-5-11(8-10)17-2/h3-5,8,14H,6-7,9H2,1-2H3,(H,13,15).
What are the key properties of 2-(3-methoxyanilino)-N-(2-methoxyethyl)acetamide?
2-(3-methoxyanilino)-N-(2-methoxyethyl)acetamide has a molecular weight of 238.29 g/mol, XLogP of 0.87, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxyanilino)-N-(2-methoxyethyl)acetamide is sourced from PubChem (CID 39335252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).