3-methyl-2-(2-methylanilino)butanamide

C12H18N2O — CID 60679565

IUPAC3-methyl-2-(2-methylanilino)butanamide
SMILESCc1ccccc1NC(C(N)=O)C(C)C
InChIInChI=1S/C12H18N2O/c1-8(2)11(12(13)15)14-10-7-5-4-6-9(10)3/h4-8,11,14H,1-3H3,(H2,13,15)
InChIKeyVBGLSMWYFCPVJZ-UHFFFAOYSA-N
MW206.29 g/mol
LogP1.92
Rot. Bonds4

About 3-methyl-2-(2-methylanilino)butanamide

3-methyl-2-(2-methylanilino)butanamide (PubChem CID 60679565) has the molecular formula C12H18N2O and a molecular weight of 206.29 g/mol. Its IUPAC name is 3-methyl-2-(2-methylanilino)butanamide.

Molecular Properties

Compound Name3-methyl-2-(2-methylanilino)butanamide
PubChem CID60679565
Molecular FormulaC12H18N2O
Molecular Weight206.29 g/mol
Exact Mass206.14
IUPAC Name3-methyl-2-(2-methylanilino)butanamide
SMILESCc1ccccc1NC(C(N)=O)C(C)C
InChIInChI=1S/C12H18N2O/c1-8(2)11(12(13)15)14-10-7-5-4-6-9(10)3/h4-8,11,14H,1-3H3,(H2,13,15)
InChIKeyVBGLSMWYFCPVJZ-UHFFFAOYSA-N
XLogP1.92
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-methyl-2-(2-nitroanilino)butanamide
CID 75429977
3-methyl-2-[(2-methylquinolin-4-yl)amino]butanamide
CID 106345922
2-(2,3-dimethylanilino)-3-methylpentanamide
CID 174388293
3-(2-methylanilino)butan-2-one
CID 14026537
2-(2-methylanilino)propanehydrazide
CID 23833506
methyl 3,5-dimethyl-2-(2-methylanilino)hexanoate
CID 114200917
(2-methylphenyl)urea;phosphane
CID 175888509
(2S)-2-(2,6-dimethylanilino)propanamide
CID 89462597
2-(2-methylanilino)-2-(3-methylthiophen-2-yl)acetamide
CID 61346770
2-cyclohexyl-2-(2-methylanilino)acetamide
CID 54892248
ethyl 3,3-dimethyl-2-(2-methylanilino)butanoate
CID 61324566
2-(2-cyanophenyl)-2-(2-methylanilino)acetamide
CID 107936349

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-(2-methylanilino)butanamide?
The IUPAC name of 3-methyl-2-(2-methylanilino)butanamide (CID 60679565) is 3-methyl-2-(2-methylanilino)butanamide.
What is the SMILES notation for 3-methyl-2-(2-methylanilino)butanamide?
The canonical SMILES for 3-methyl-2-(2-methylanilino)butanamide is Cc1ccccc1NC(C(N)=O)C(C)C.
What is the InChIKey of 3-methyl-2-(2-methylanilino)butanamide?
The InChIKey is VBGLSMWYFCPVJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O/c1-8(2)11(12(13)15)14-10-7-5-4-6-9(10)3/h4-8,11,14H,1-3H3,(H2,13,15).
What are the key properties of 3-methyl-2-(2-methylanilino)butanamide?
3-methyl-2-(2-methylanilino)butanamide has a molecular weight of 206.29 g/mol, XLogP of 1.92, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-(2-methylanilino)butanamide is sourced from PubChem (CID 60679565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).