4,4-dimethyl-2-(3-methylanilino)pentanamide

C14H22N2O — CID 62950237

IUPAC4,4-dimethyl-2-(3-methylanilino)pentanamide
SMILESCc1cccc(NC(CC(C)(C)C)C(N)=O)c1
InChIInChI=1S/C14H22N2O/c1-10-6-5-7-11(8-10)16-12(13(15)17)9-14(2,3)4/h5-8,12,16H,9H2,1-4H3,(H2,15,17)
InChIKeyKGIHFZYLXZUUCD-UHFFFAOYSA-N
MW234.34 g/mol
LogP2.70
Rot. Bonds4

About 4,4-dimethyl-2-(3-methylanilino)pentanamide

4,4-dimethyl-2-(3-methylanilino)pentanamide (PubChem CID 62950237) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is 4,4-dimethyl-2-(3-methylanilino)pentanamide.

Molecular Properties

Compound Name4,4-dimethyl-2-(3-methylanilino)pentanamide
PubChem CID62950237
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC Name4,4-dimethyl-2-(3-methylanilino)pentanamide
SMILESCc1cccc(NC(CC(C)(C)C)C(N)=O)c1
InChIInChI=1S/C14H22N2O/c1-10-6-5-7-11(8-10)16-12(13(15)17)9-14(2,3)4/h5-8,12,16H,9H2,1-4H3,(H2,15,17)
InChIKeyKGIHFZYLXZUUCD-UHFFFAOYSA-N
XLogP2.70
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4,4-dimethyl-2-(3-methylanilino)pentanoic acid
CID 62951160
2-(3-fluoroanilino)-4,4-dimethylpentanamide
CID 55156390
3-hydroxy-2-(3-methylanilino)propanamide
CID 104711172
2-anilino-4,4-dimethylpentanamide
CID 62950049
ethyl 4-methoxy-4-methyl-2-(3-methylanilino)pentanoate
CID 106675959
2-(4-fluoroanilino)-4,4-dimethylpentanamide
CID 55156388
(2S)-2-(3-methylanilino)pentanoic acid
CID 40788448
2-(3-bromoanilino)pentanamide
CID 61005208
methyl 2-anilino-4,4-dimethylpentanoate
CID 55156393
2-(3-bromoanilino)-3-hydroxypropanamide
CID 104711177
ethyl (2R)-2-(3-methylanilino)propanoate
CID 102078711
(2S)-2-[3-(trifluoromethyl)anilino]pentanamide
CID 91617003

Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-2-(3-methylanilino)pentanamide?
The IUPAC name of 4,4-dimethyl-2-(3-methylanilino)pentanamide (CID 62950237) is 4,4-dimethyl-2-(3-methylanilino)pentanamide.
What is the SMILES notation for 4,4-dimethyl-2-(3-methylanilino)pentanamide?
The canonical SMILES for 4,4-dimethyl-2-(3-methylanilino)pentanamide is Cc1cccc(NC(CC(C)(C)C)C(N)=O)c1.
What is the InChIKey of 4,4-dimethyl-2-(3-methylanilino)pentanamide?
The InChIKey is KGIHFZYLXZUUCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c1-10-6-5-7-11(8-10)16-12(13(15)17)9-14(2,3)4/h5-8,12,16H,9H2,1-4H3,(H2,15,17).
What are the key properties of 4,4-dimethyl-2-(3-methylanilino)pentanamide?
4,4-dimethyl-2-(3-methylanilino)pentanamide has a molecular weight of 234.34 g/mol, XLogP of 2.70, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-2-(3-methylanilino)pentanamide is sourced from PubChem (CID 62950237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).