2-anilino-4,4-dimethylpentanamide

C13H20N2O — CID 62950049

IUPAC2-anilino-4,4-dimethylpentanamide
SMILESCC(C)(C)CC(Nc1ccccc1)C(N)=O
InChIInChI=1S/C13H20N2O/c1-13(2,3)9-11(12(14)16)15-10-7-5-4-6-8-10/h4-8,11,15H,9H2,1-3H3,(H2,14,16)
InChIKeyAKQLXEUUTNUDIU-UHFFFAOYSA-N
MW220.32 g/mol
LogP2.39
Rot. Bonds4

About 2-anilino-4,4-dimethylpentanamide

2-anilino-4,4-dimethylpentanamide (PubChem CID 62950049) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is 2-anilino-4,4-dimethylpentanamide.

Molecular Properties

Compound Name2-anilino-4,4-dimethylpentanamide
PubChem CID62950049
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC Name2-anilino-4,4-dimethylpentanamide
SMILESCC(C)(C)CC(Nc1ccccc1)C(N)=O
InChIInChI=1S/C13H20N2O/c1-13(2,3)9-11(12(14)16)15-10-7-5-4-6-8-10/h4-8,11,15H,9H2,1-3H3,(H2,14,16)
InChIKeyAKQLXEUUTNUDIU-UHFFFAOYSA-N
XLogP2.39
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

methyl 2-anilino-4,4-dimethylpentanoate
CID 55156393
2-(4-fluoroanilino)-4,4-dimethylpentanamide
CID 55156388
4,4-dimethyl-2-(3-methylanilino)pentanamide
CID 62950237
2-(3-fluoroanilino)-4,4-dimethylpentanamide
CID 55156390
2-(benzylamino)-4,4-dimethylpentanamide
CID 62949870
2-anilinoheptanamide
CID 61005049
2-anilino-3,3-dimethylbutanamide
CID 61324562
2-(4-methoxyanilino)-4,4-dimethylpentanoic acid
CID 62950052
4,4-dimethyl-2-(3-methylanilino)pentanoic acid
CID 62951160
4-methoxy-2-(4-methoxyanilino)-4-methylpentanamide
CID 106675870
(2S)-2-anilinopentanoic acid
CID 22847649
methyl 2-anilinopentanoate
CID 60992581

Frequently Asked Questions

What is the IUPAC name of 2-anilino-4,4-dimethylpentanamide?
The IUPAC name of 2-anilino-4,4-dimethylpentanamide (CID 62950049) is 2-anilino-4,4-dimethylpentanamide.
What is the SMILES notation for 2-anilino-4,4-dimethylpentanamide?
The canonical SMILES for 2-anilino-4,4-dimethylpentanamide is CC(C)(C)CC(Nc1ccccc1)C(N)=O.
What is the InChIKey of 2-anilino-4,4-dimethylpentanamide?
The InChIKey is AKQLXEUUTNUDIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O/c1-13(2,3)9-11(12(14)16)15-10-7-5-4-6-8-10/h4-8,11,15H,9H2,1-3H3,(H2,14,16).
What are the key properties of 2-anilino-4,4-dimethylpentanamide?
2-anilino-4,4-dimethylpentanamide has a molecular weight of 220.32 g/mol, XLogP of 2.39, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-anilino-4,4-dimethylpentanamide is sourced from PubChem (CID 62950049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).