3-[(2,4-dimethylphenyl)methylamino]-3-methylbutanamide

C14H22N2O — CID 106095989

IUPAC3-[(2,4-dimethylphenyl)methylamino]-3-methylbutanamide
SMILESCc1ccc(CNC(C)(C)CC(N)=O)c(C)c1
InChIInChI=1S/C14H22N2O/c1-10-5-6-12(11(2)7-10)9-16-14(3,4)8-13(15)17/h5-7,16H,8-9H2,1-4H3,(H2,15,17)
InChIKeyJAPFKAAFDKHPDD-UHFFFAOYSA-N
MW234.34 g/mol
LogP2.05
Rot. Bonds5

About 3-[(2,4-dimethylphenyl)methylamino]-3-methylbutanamide

3-[(2,4-dimethylphenyl)methylamino]-3-methylbutanamide (PubChem CID 106095989) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is 3-[(2,4-dimethylphenyl)methylamino]-3-methylbutanamide.

Molecular Properties

Compound Name3-[(2,4-dimethylphenyl)methylamino]-3-methylbutanamide
PubChem CID106095989
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC Name3-[(2,4-dimethylphenyl)methylamino]-3-methylbutanamide
SMILESCc1ccc(CNC(C)(C)CC(N)=O)c(C)c1
InChIInChI=1S/C14H22N2O/c1-10-5-6-12(11(2)7-10)9-16-14(3,4)8-13(15)17/h5-7,16H,8-9H2,1-4H3,(H2,15,17)
InChIKeyJAPFKAAFDKHPDD-UHFFFAOYSA-N
XLogP2.05
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(4-fluoro-2-methylphenyl)methylamino]-3-methylbutanamide
CID 104580146
N-[(2,4-dimethylphenyl)methyl]-2-methylpropan-2-amine
CID 16774947
3-methyl-3-[(4-methyl-3-pyridinyl)methylamino]butanamide
CID 104580210
2-[(2,4-dimethylphenyl)methylamino]oxyacetamide
CID 112672487
3-[(2,4-dimethylphenyl)methylamino]butanamide
CID 115676436
3-[[2-[(Z)-N'-hydroxycarbamimidoyl]phenyl]methylamino]-3-methylbutanamide
CID 106096843
4-[[(4-amino-2-methyl-4-oxobutan-2-yl)amino]methyl]-5-methylfuran-2-carboxylic acid
CID 106097419
1-[(2,4-dimethylphenyl)methylamino]propan-2-one
CID 115234682
3-[(2-chloro-4-nitrophenyl)methylamino]-3-methylbutanamide
CID 104580443
3-(2,4-dimethylphenyl)-3-(ethylamino)butanamide
CID 65234113
N-(4-amino-2-methyl-4-oxobutan-2-yl)-2-hydroxy-4-methylbenzamide
CID 104579469
3-[(2,5-dimethoxyphenyl)methylamino]-3-methylbutanamide
CID 104580454

Frequently Asked Questions

What is the IUPAC name of 3-[(2,4-dimethylphenyl)methylamino]-3-methylbutanamide?
The IUPAC name of 3-[(2,4-dimethylphenyl)methylamino]-3-methylbutanamide (CID 106095989) is 3-[(2,4-dimethylphenyl)methylamino]-3-methylbutanamide.
What is the SMILES notation for 3-[(2,4-dimethylphenyl)methylamino]-3-methylbutanamide?
The canonical SMILES for 3-[(2,4-dimethylphenyl)methylamino]-3-methylbutanamide is Cc1ccc(CNC(C)(C)CC(N)=O)c(C)c1.
What is the InChIKey of 3-[(2,4-dimethylphenyl)methylamino]-3-methylbutanamide?
The InChIKey is JAPFKAAFDKHPDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c1-10-5-6-12(11(2)7-10)9-16-14(3,4)8-13(15)17/h5-7,16H,8-9H2,1-4H3,(H2,15,17).
What are the key properties of 3-[(2,4-dimethylphenyl)methylamino]-3-methylbutanamide?
3-[(2,4-dimethylphenyl)methylamino]-3-methylbutanamide has a molecular weight of 234.34 g/mol, XLogP of 2.05, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,4-dimethylphenyl)methylamino]-3-methylbutanamide is sourced from PubChem (CID 106095989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).