2-(4-methoxyanilino)butanamide

C11H16N2O2 — CID 61005469

IUPAC2-(4-methoxyanilino)butanamide
SMILESCCC(Nc1ccc(OC)cc1)C(N)=O
InChIInChI=1S/C11H16N2O2/c1-3-10(11(12)14)13-8-4-6-9(15-2)7-5-8/h4-7,10,13H,3H2,1-2H3,(H2,12,14)
InChIKeyVGSAOXBBSUAXAA-UHFFFAOYSA-N
MW208.26 g/mol
LogP1.37
Rot. Bonds5

About 2-(4-methoxyanilino)butanamide

2-(4-methoxyanilino)butanamide (PubChem CID 61005469) has the molecular formula C11H16N2O2 and a molecular weight of 208.26 g/mol. Its IUPAC name is 2-(4-methoxyanilino)butanamide.

Molecular Properties

Compound Name2-(4-methoxyanilino)butanamide
PubChem CID61005469
Molecular FormulaC11H16N2O2
Molecular Weight208.26 g/mol
Exact Mass208.12
IUPAC Name2-(4-methoxyanilino)butanamide
SMILESCCC(Nc1ccc(OC)cc1)C(N)=O
InChIInChI=1S/C11H16N2O2/c1-3-10(11(12)14)13-8-4-6-9(15-2)7-5-8/h4-7,10,13H,3H2,1-2H3,(H2,12,14)
InChIKeyVGSAOXBBSUAXAA-UHFFFAOYSA-N
XLogP1.37
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

4-methoxy-2-(4-methoxyanilino)-4-methylpentanamide
CID 106675870
3-ethyl-2-(4-methoxyanilino)pentanamide
CID 61317708
2-(4-methoxyanilino)-N'-methylbutanediamide
CID 66429484
2-(4-iodoanilino)butanamide
CID 62900403
(2R)-2-(4-methoxyanilino)pentanoic acid
CID 11085419
ethyl 2-(4-methoxyanilino)hexanoate
CID 61352956
1-O-ethyl 4-O-methyl 2-(4-methoxyanilino)butanedioate
CID 59288138
2-(5-methoxy-2-methylanilino)butanamide
CID 167770796
2-[4-(trifluoromethyl)anilino]butanamide
CID 55130262
2-(4-methoxyanilino)-3,5-dimethylhexanamide
CID 114200888
ethyl 2-(4-methoxyanilino)-3-methylbutanoate
CID 10753251
(3S)-3-(4-methoxyanilino)-5,5-dimethylhexan-2-one
CID 101204595

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyanilino)butanamide?
The IUPAC name of 2-(4-methoxyanilino)butanamide (CID 61005469) is 2-(4-methoxyanilino)butanamide.
What is the SMILES notation for 2-(4-methoxyanilino)butanamide?
The canonical SMILES for 2-(4-methoxyanilino)butanamide is CCC(Nc1ccc(OC)cc1)C(N)=O.
What is the InChIKey of 2-(4-methoxyanilino)butanamide?
The InChIKey is VGSAOXBBSUAXAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2/c1-3-10(11(12)14)13-8-4-6-9(15-2)7-5-8/h4-7,10,13H,3H2,1-2H3,(H2,12,14).
What are the key properties of 2-(4-methoxyanilino)butanamide?
2-(4-methoxyanilino)butanamide has a molecular weight of 208.26 g/mol, XLogP of 1.37, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyanilino)butanamide is sourced from PubChem (CID 61005469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).