3-(2,5-dimethylphenyl)-3-(methylamino)butanamide

C13H20N2O — CID 65236175

IUPAC3-(2,5-dimethylphenyl)-3-(methylamino)butanamide
SMILESCNC(C)(CC(N)=O)c1cc(C)ccc1C
InChIInChI=1S/C13H20N2O/c1-9-5-6-10(2)11(7-9)13(3,15-4)8-12(14)16/h5-7,15H,8H2,1-4H3,(H2,14,16)
InChIKeyZFMSKNNLQWNUPZ-UHFFFAOYSA-N
MW220.32 g/mol
LogP1.61
Rot. Bonds4

About 3-(2,5-dimethylphenyl)-3-(methylamino)butanamide

3-(2,5-dimethylphenyl)-3-(methylamino)butanamide (PubChem CID 65236175) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is 3-(2,5-dimethylphenyl)-3-(methylamino)butanamide.

Molecular Properties

Compound Name3-(2,5-dimethylphenyl)-3-(methylamino)butanamide
PubChem CID65236175
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC Name3-(2,5-dimethylphenyl)-3-(methylamino)butanamide
SMILESCNC(C)(CC(N)=O)c1cc(C)ccc1C
InChIInChI=1S/C13H20N2O/c1-9-5-6-10(2)11(7-9)13(3,15-4)8-12(14)16/h5-7,15H,8H2,1-4H3,(H2,14,16)
InChIKeyZFMSKNNLQWNUPZ-UHFFFAOYSA-N
XLogP1.61
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 ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 3-(2,5-dimethylphenyl)-3-(methylamino)butanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(2,5-dimethylphenyl)-3-(propylamino)butanamide
CID 65235843
3-(2,4-dimethylphenyl)-3-(ethylamino)butanamide
CID 65234113
2-[[2-(2,5-dimethylphenyl)-2-methylpropyl]amino]acetamide
CID 115260324
ethyl 2-(2,5-dimethylphenyl)-2-methylpropanoate
CID 62550626
3-acetyl-3-(2,5-dimethylphenyl)hexane-2,5-dione
CID 143335594
3-[(2,4-dimethylphenyl)methylamino]-3-methylbutanamide
CID 106095989
2-amino-2-(2,5-dimethylphenyl)propanoic acid
CID 24695518
2-[(2,5-dimethylphenyl)sulfonylamino]acetamide
CID 9189431
2-(butan-2-ylamino)-2-(2,5-dimethylphenyl)propanamide
CID 54908499
2-amino-N-[2-(2,5-dimethylphenyl)-2-methylpropyl]-2-methylpropanamide
CID 115152822
N-[2-(2,5-dimethylphenyl)-2-methylpropyl]acetamide
CID 115191394
1-(2,5-dimethylphenyl)-2-methyl-2-(methylamino)propan-1-one
CID 116566560

Frequently Asked Questions

What is the IUPAC name of 3-(2,5-dimethylphenyl)-3-(methylamino)butanamide?
The IUPAC name of 3-(2,5-dimethylphenyl)-3-(methylamino)butanamide (CID 65236175) is 3-(2,5-dimethylphenyl)-3-(methylamino)butanamide.
What is the SMILES notation for 3-(2,5-dimethylphenyl)-3-(methylamino)butanamide?
The canonical SMILES for 3-(2,5-dimethylphenyl)-3-(methylamino)butanamide is CNC(C)(CC(N)=O)c1cc(C)ccc1C.
What is the InChIKey of 3-(2,5-dimethylphenyl)-3-(methylamino)butanamide?
The InChIKey is ZFMSKNNLQWNUPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O/c1-9-5-6-10(2)11(7-9)13(3,15-4)8-12(14)16/h5-7,15H,8H2,1-4H3,(H2,14,16).
What are the key properties of 3-(2,5-dimethylphenyl)-3-(methylamino)butanamide?
3-(2,5-dimethylphenyl)-3-(methylamino)butanamide has a molecular weight of 220.32 g/mol, XLogP of 1.61, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-dimethylphenyl)-3-(methylamino)butanamide is sourced from PubChem (CID 65236175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).