N-(2,3-dimethylphenyl)-4-(2-methoxyethoxy)butanamide

C15H23NO3 — CID 47069804

IUPACN-(2,3-dimethylphenyl)-4-(2-methoxyethoxy)butanamide
SMILESCOCCOCCCC(=O)Nc1cccc(C)c1C
InChIInChI=1S/C15H23NO3/c1-12-6-4-7-14(13(12)2)16-15(17)8-5-9-19-11-10-18-3/h4,6-7H,5,8-11H2,1-3H3,(H,16,17)
InChIKeyXJTXQYWONRJQRF-UHFFFAOYSA-N
MW265.35 g/mol
LogP2.69
Rot. Bonds8

About N-(2,3-dimethylphenyl)-4-(2-methoxyethoxy)butanamide

N-(2,3-dimethylphenyl)-4-(2-methoxyethoxy)butanamide (PubChem CID 47069804) has the molecular formula C15H23NO3 and a molecular weight of 265.35 g/mol. Its IUPAC name is N-(2,3-dimethylphenyl)-4-(2-methoxyethoxy)butanamide.

Molecular Properties

Compound NameN-(2,3-dimethylphenyl)-4-(2-methoxyethoxy)butanamide
PubChem CID47069804
Molecular FormulaC15H23NO3
Molecular Weight265.35 g/mol
Exact Mass265.17
IUPAC NameN-(2,3-dimethylphenyl)-4-(2-methoxyethoxy)butanamide
SMILESCOCCOCCCC(=O)Nc1cccc(C)c1C
InChIInChI=1S/C15H23NO3/c1-12-6-4-7-14(13(12)2)16-15(17)8-5-9-19-11-10-18-3/h4,6-7H,5,8-11H2,1-3H3,(H,16,17)
InChIKeyXJTXQYWONRJQRF-UHFFFAOYSA-N
XLogP2.69
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.35
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-methoxyethyl 4-(2,3-dimethylanilino)-4-oxobutanoate
CID 17339093
N,N'-bis(2,3-dimethylphenyl)butanediamide
CID 4250073
N-(2,3-dimethylphenyl)dodecanamide
CID 4198682
N-(3-amino-2-methylphenyl)-4-propoxybutanamide
CID 43247848
4-(2-methoxyethoxy)-N-[2-(4-methylphenoxy)phenyl]butanamide
CID 60567368
methyl 3-(2,3-dimethylanilino)-3-oxopropanoate
CID 14278404
N-(2,3-dimethylphenyl)-4-oxopentanamide
CID 60636238
N-(3-chloro-2-methylphenyl)-4-(2,3-dimethylphenoxy)butanamide
CID 19190988
N-(2,3-dimethylphenyl)-4-(2-nitrophenoxy)butanamide
CID 84550981
N-(2-cyano-3-methylphenyl)-4-ethoxybutanamide
CID 113241608
N-(2,3-dimethylphenyl)-2-hydroxyacetamide
CID 16769655
2-[(2-bromoacetyl)amino]-N-(2,3-dimethylphenyl)acetamide
CID 55246569

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethylphenyl)-4-(2-methoxyethoxy)butanamide?
The IUPAC name of N-(2,3-dimethylphenyl)-4-(2-methoxyethoxy)butanamide (CID 47069804) is N-(2,3-dimethylphenyl)-4-(2-methoxyethoxy)butanamide.
What is the SMILES notation for N-(2,3-dimethylphenyl)-4-(2-methoxyethoxy)butanamide?
The canonical SMILES for N-(2,3-dimethylphenyl)-4-(2-methoxyethoxy)butanamide is COCCOCCCC(=O)Nc1cccc(C)c1C.
What is the InChIKey of N-(2,3-dimethylphenyl)-4-(2-methoxyethoxy)butanamide?
The InChIKey is XJTXQYWONRJQRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3/c1-12-6-4-7-14(13(12)2)16-15(17)8-5-9-19-11-10-18-3/h4,6-7H,5,8-11H2,1-3H3,(H,16,17).
What are the key properties of N-(2,3-dimethylphenyl)-4-(2-methoxyethoxy)butanamide?
N-(2,3-dimethylphenyl)-4-(2-methoxyethoxy)butanamide has a molecular weight of 265.35 g/mol, XLogP of 2.69, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dimethylphenyl)-4-(2-methoxyethoxy)butanamide is sourced from PubChem (CID 47069804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).