4-methoxy-2-(4-methoxyanilino)-4-methylpentanamide

C14H22N2O3 — CID 106675870

IUPAC4-methoxy-2-(4-methoxyanilino)-4-methylpentanamide
SMILESCOc1ccc(NC(CC(C)(C)OC)C(N)=O)cc1
InChIInChI=1S/C14H22N2O3/c1-14(2,19-4)9-12(13(15)17)16-10-5-7-11(18-3)8-6-10/h5-8,12,16H,9H2,1-4H3,(H2,15,17)
InChIKeyZWTWOSZAIWNYPY-UHFFFAOYSA-N
MW266.34 g/mol
LogP1.78
Rot. Bonds7

About 4-methoxy-2-(4-methoxyanilino)-4-methylpentanamide

4-methoxy-2-(4-methoxyanilino)-4-methylpentanamide (PubChem CID 106675870) has the molecular formula C14H22N2O3 and a molecular weight of 266.34 g/mol. Its IUPAC name is 4-methoxy-2-(4-methoxyanilino)-4-methylpentanamide.

Molecular Properties

Compound Name4-methoxy-2-(4-methoxyanilino)-4-methylpentanamide
PubChem CID106675870
Molecular FormulaC14H22N2O3
Molecular Weight266.34 g/mol
Exact Mass266.16
IUPAC Name4-methoxy-2-(4-methoxyanilino)-4-methylpentanamide
SMILESCOc1ccc(NC(CC(C)(C)OC)C(N)=O)cc1
InChIInChI=1S/C14H22N2O3/c1-14(2,19-4)9-12(13(15)17)16-10-5-7-11(18-3)8-6-10/h5-8,12,16H,9H2,1-4H3,(H2,15,17)
InChIKeyZWTWOSZAIWNYPY-UHFFFAOYSA-N
XLogP1.78
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(4-methoxyanilino)butanamide
CID 61005469
(3S)-3-(4-methoxyanilino)-5,5-dimethylhexan-2-one
CID 101204595
2-(4-methoxyanilino)-N'-methylbutanediamide
CID 66429484
2-(4-methoxyanilino)-4,4-dimethylpentanoic acid
CID 62950052
4-methoxy-2-(4-methoxyanilino)-4-methylpentan-1-ol
CID 106676177
3-ethyl-2-(4-methoxyanilino)pentanamide
CID 61317708
2-(4-fluoroanilino)-4,4-dimethylpentanamide
CID 55156388
(2R)-2-(4-methoxyanilino)pentanoic acid
CID 11085419
2-(4-methoxyanilino)-3,5-dimethylhexanamide
CID 114200888
1-O-ethyl 4-O-methyl 2-(4-methoxyanilino)butanedioate
CID 59288138
ethyl 2-(4-methoxyanilino)hexanoate
CID 61352956
3-(4-methoxyphenyl)-2-(methylamino)propanamide
CID 19003692

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2-(4-methoxyanilino)-4-methylpentanamide?
The IUPAC name of 4-methoxy-2-(4-methoxyanilino)-4-methylpentanamide (CID 106675870) is 4-methoxy-2-(4-methoxyanilino)-4-methylpentanamide.
What is the SMILES notation for 4-methoxy-2-(4-methoxyanilino)-4-methylpentanamide?
The canonical SMILES for 4-methoxy-2-(4-methoxyanilino)-4-methylpentanamide is COc1ccc(NC(CC(C)(C)OC)C(N)=O)cc1.
What is the InChIKey of 4-methoxy-2-(4-methoxyanilino)-4-methylpentanamide?
The InChIKey is ZWTWOSZAIWNYPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3/c1-14(2,19-4)9-12(13(15)17)16-10-5-7-11(18-3)8-6-10/h5-8,12,16H,9H2,1-4H3,(H2,15,17).
What are the key properties of 4-methoxy-2-(4-methoxyanilino)-4-methylpentanamide?
4-methoxy-2-(4-methoxyanilino)-4-methylpentanamide has a molecular weight of 266.34 g/mol, XLogP of 1.78, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2-(4-methoxyanilino)-4-methylpentanamide is sourced from PubChem (CID 106675870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).