2-(4-methoxyanilino)-3,5-dimethylhexanamide

C15H24N2O2 — CID 114200888

IUPAC2-(4-methoxyanilino)-3,5-dimethylhexanamide
SMILESCOc1ccc(NC(C(N)=O)C(C)CC(C)C)cc1
InChIInChI=1S/C15H24N2O2/c1-10(2)9-11(3)14(15(16)18)17-12-5-7-13(19-4)8-6-12/h5-8,10-11,14,17H,9H2,1-4H3,(H2,16,18)
InChIKeyNIPGEIOIUNNHLX-UHFFFAOYSA-N
MW264.37 g/mol
LogP2.64
Rot. Bonds7

About 2-(4-methoxyanilino)-3,5-dimethylhexanamide

2-(4-methoxyanilino)-3,5-dimethylhexanamide (PubChem CID 114200888) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is 2-(4-methoxyanilino)-3,5-dimethylhexanamide.

Molecular Properties

Compound Name2-(4-methoxyanilino)-3,5-dimethylhexanamide
PubChem CID114200888
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC Name2-(4-methoxyanilino)-3,5-dimethylhexanamide
SMILESCOc1ccc(NC(C(N)=O)C(C)CC(C)C)cc1
InChIInChI=1S/C15H24N2O2/c1-10(2)9-11(3)14(15(16)18)17-12-5-7-13(19-4)8-6-12/h5-8,10-11,14,17H,9H2,1-4H3,(H2,16,18)
InChIKeyNIPGEIOIUNNHLX-UHFFFAOYSA-N
XLogP2.64
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 52.64
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

3-ethyl-2-(4-methoxyanilino)pentanamide
CID 61317708
2-(4-methoxyanilino)butanamide
CID 61005469
(4R)-4-(4-methoxyanilino)-6-methylheptan-2-one
CID 11425205
2-(4-methoxyanilino)-3,5-dimethylhexan-1-ol
CID 114201074
methyl (2R,3S)-3-amino-2-(4-methoxyanilino)butanoate
CID 10105611
ethyl 2-(4-methoxyanilino)-3-methylbutanoate
CID 10753251
ethyl 4-methoxy-2-(4-methoxyanilino)-3-methylbutanoate
CID 116502005
(2S)-2-(4-methoxyanilino)-3-methylbutanoic acid
CID 54496950
ethyl (2S,3R,4S)-4-hydroxy-2-(4-methoxyanilino)-3-methylpentanoate
CID 11335018
methyl (2S,3R)-2-(4-methoxyanilino)-3-methyl-4-oxobutanoate
CID 101391290
methyl (2S)-2-[4-(4-methoxyphenyl)anilino]propanoate;hydrochloride
CID 67578447
4-methoxy-2-(4-methoxyanilino)-4-methylpentanamide
CID 106675870

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyanilino)-3,5-dimethylhexanamide?
The IUPAC name of 2-(4-methoxyanilino)-3,5-dimethylhexanamide (CID 114200888) is 2-(4-methoxyanilino)-3,5-dimethylhexanamide.
What is the SMILES notation for 2-(4-methoxyanilino)-3,5-dimethylhexanamide?
The canonical SMILES for 2-(4-methoxyanilino)-3,5-dimethylhexanamide is COc1ccc(NC(C(N)=O)C(C)CC(C)C)cc1.
What is the InChIKey of 2-(4-methoxyanilino)-3,5-dimethylhexanamide?
The InChIKey is NIPGEIOIUNNHLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-10(2)9-11(3)14(15(16)18)17-12-5-7-13(19-4)8-6-12/h5-8,10-11,14,17H,9H2,1-4H3,(H2,16,18).
What are the key properties of 2-(4-methoxyanilino)-3,5-dimethylhexanamide?
2-(4-methoxyanilino)-3,5-dimethylhexanamide has a molecular weight of 264.37 g/mol, XLogP of 2.64, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyanilino)-3,5-dimethylhexanamide is sourced from PubChem (CID 114200888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).