3-methyl-N-[4-(methylamino)phenyl]butanamide

C12H18N2O — CID 63090374

IUPAC3-methyl-N-[4-(methylamino)phenyl]butanamide
SMILESCNc1ccc(NC(=O)CC(C)C)cc1
InChIInChI=1S/C12H18N2O/c1-9(2)8-12(15)14-11-6-4-10(13-3)5-7-11/h4-7,9,13H,8H2,1-3H3,(H,14,15)
InChIKeyVADHJOJUASWHCA-UHFFFAOYSA-N
MW206.29 g/mol
LogP2.71
Rot. Bonds4

About 3-methyl-N-[4-(methylamino)phenyl]butanamide

3-methyl-N-[4-(methylamino)phenyl]butanamide (PubChem CID 63090374) has the molecular formula C12H18N2O and a molecular weight of 206.29 g/mol. Its IUPAC name is 3-methyl-N-[4-(methylamino)phenyl]butanamide.

Molecular Properties

Compound Name3-methyl-N-[4-(methylamino)phenyl]butanamide
PubChem CID63090374
Molecular FormulaC12H18N2O
Molecular Weight206.29 g/mol
Exact Mass206.14
IUPAC Name3-methyl-N-[4-(methylamino)phenyl]butanamide
SMILESCNc1ccc(NC(=O)CC(C)C)cc1
InChIInChI=1S/C12H18N2O/c1-9(2)8-12(15)14-11-6-4-10(13-3)5-7-11/h4-7,9,13H,8H2,1-3H3,(H,14,15)
InChIKeyVADHJOJUASWHCA-UHFFFAOYSA-N
XLogP2.71
TPSA41.13 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 ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-hydroxyphenyl)-3-methylbutanamide
CID 836029
3-methyl-N-[4-(phenylcarbamoylamino)phenyl]butanamide
CID 17193970
4-amino-3-methyl-N-[4-(3-methylbutanoylamino)phenyl]butanamide
CID 81084171
N-(1-hydroxypyridin-1-ium-4-yl)-3-methylbutanamide
CID 142170970
N,N-dimethyl-4-(3-methylbutanoylamino)benzamide
CID 38105549
4-(3-methylbutanoylamino)-N-propan-2-ylbenzamide
CID 47294536
N-[4-(3-methylbutanoylamino)phenyl]cyclopropanecarboxamide
CID 17193989
3-methyl-N-[4-[(E)-3-methylbut-1-enyl]phenyl]butanamide
CID 59463422
3-methyl-N-(4-phenyldiazenylphenyl)butanamide
CID 4650351
3-methyl-N-(4-pyrrol-1-ylphenyl)butanamide
CID 110726327
N-[4-(furan-2-yl)phenyl]-3-methylbutanamide
CID 168525798
(2S)-2-amino-3,3-dimethyl-N-[4-(3-methylbutanoylamino)phenyl]butanamide
CID 119703637

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[4-(methylamino)phenyl]butanamide?
The IUPAC name of 3-methyl-N-[4-(methylamino)phenyl]butanamide (CID 63090374) is 3-methyl-N-[4-(methylamino)phenyl]butanamide.
What is the SMILES notation for 3-methyl-N-[4-(methylamino)phenyl]butanamide?
The canonical SMILES for 3-methyl-N-[4-(methylamino)phenyl]butanamide is CNc1ccc(NC(=O)CC(C)C)cc1.
What is the InChIKey of 3-methyl-N-[4-(methylamino)phenyl]butanamide?
The InChIKey is VADHJOJUASWHCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O/c1-9(2)8-12(15)14-11-6-4-10(13-3)5-7-11/h4-7,9,13H,8H2,1-3H3,(H,14,15).
What are the key properties of 3-methyl-N-[4-(methylamino)phenyl]butanamide?
3-methyl-N-[4-(methylamino)phenyl]butanamide has a molecular weight of 206.29 g/mol, XLogP of 2.71, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[4-(methylamino)phenyl]butanamide is sourced from PubChem (CID 63090374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).