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

C12H18N2O — CID 175204219

IUPACN-[3-methyl-4-(methylamino)phenyl]butanamide
SMILESCCCC(=O)Nc1ccc(NC)c(C)c1
InChIInChI=1S/C12H18N2O/c1-4-5-12(15)14-10-6-7-11(13-3)9(2)8-10/h6-8,13H,4-5H2,1-3H3,(H,14,15)
InChIKeyUOOXBRMAOHJQOL-UHFFFAOYSA-N
MW206.29 g/mol
LogP2.78
Rot. Bonds4

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

N-[3-methyl-4-(methylamino)phenyl]butanamide (PubChem CID 175204219) has the molecular formula C12H18N2O and a molecular weight of 206.29 g/mol. Its IUPAC name is N-[3-methyl-4-(methylamino)phenyl]butanamide.

Molecular Properties

Compound NameN-[3-methyl-4-(methylamino)phenyl]butanamide
PubChem CID175204219
Molecular FormulaC12H18N2O
Molecular Weight206.29 g/mol
Exact Mass206.14
IUPAC NameN-[3-methyl-4-(methylamino)phenyl]butanamide
SMILESCCCC(=O)Nc1ccc(NC)c(C)c1
InChIInChI=1S/C12H18N2O/c1-4-5-12(15)14-10-6-7-11(13-3)9(2)8-10/h6-8,13H,4-5H2,1-3H3,(H,14,15)
InChIKeyUOOXBRMAOHJQOL-UHFFFAOYSA-N
XLogP2.78
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 ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-[(2-cyanoacetyl)amino]-2-methylphenyl]butanamide
CID 168522119
N-[4-(4-aminobutanoylamino)-2-methylphenyl]pentanamide
CID 39193527
N-[4-(butanoylamino)phenyl]butanamide;ethane
CID 166169399
N-(4-acetamido-3-methylphenyl)-3-aminopropanamide
CID 43698824
N-(3-acetyl-4-methylphenyl)butanamide;ethane
CID 153353610
N-[4-(butanoylamino)-2-methylphenyl]-1-benzofuran-2-carboxamide
CID 3347136
4-(butanoylamino)-N,3-dimethylbenzamide
CID 61216786
N-[4-chloro-3-[[2-(2,4-dimethylanilino)-2-oxoethyl]amino]phenyl]butanamide
CID 54831351
N-(3,4-dimethylphenyl)dodecanamide
CID 4067786
4-(2-butanoylhydrazinyl)-N-(2,4-dimethylphenyl)-4-oxobutanamide
CID 5199281
N-(4-formamido-2-methylphenyl)pentanamide
CID 168653385
N-(4-acetamido-3-methylphenyl)-5-chloropentanamide
CID 43696544

Frequently Asked Questions

What is the IUPAC name of N-[3-methyl-4-(methylamino)phenyl]butanamide?
The IUPAC name of N-[3-methyl-4-(methylamino)phenyl]butanamide (CID 175204219) is N-[3-methyl-4-(methylamino)phenyl]butanamide.
What is the SMILES notation for N-[3-methyl-4-(methylamino)phenyl]butanamide?
The canonical SMILES for N-[3-methyl-4-(methylamino)phenyl]butanamide is CCCC(=O)Nc1ccc(NC)c(C)c1.
What is the InChIKey of N-[3-methyl-4-(methylamino)phenyl]butanamide?
The InChIKey is UOOXBRMAOHJQOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O/c1-4-5-12(15)14-10-6-7-11(13-3)9(2)8-10/h6-8,13H,4-5H2,1-3H3,(H,14,15).
What are the key properties of N-[3-methyl-4-(methylamino)phenyl]butanamide?
N-[3-methyl-4-(methylamino)phenyl]butanamide has a molecular weight of 206.29 g/mol, XLogP of 2.78, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-methyl-4-(methylamino)phenyl]butanamide is sourced from PubChem (CID 175204219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).