4-(methylamino)-N-(4-methylphenyl)butanamide

C12H18N2O — CID 60842217

IUPAC4-(methylamino)-N-(4-methylphenyl)butanamide
SMILESCNCCCC(=O)Nc1ccc(C)cc1
InChIInChI=1S/C12H18N2O/c1-10-5-7-11(8-6-10)14-12(15)4-3-9-13-2/h5-8,13H,3-4,9H2,1-2H3,(H,14,15)
InChIKeyYQNALYWFJKPMBP-UHFFFAOYSA-N
MW206.29 g/mol
LogP1.93
Rot. Bonds5

About 4-(methylamino)-N-(4-methylphenyl)butanamide

4-(methylamino)-N-(4-methylphenyl)butanamide (PubChem CID 60842217) has the molecular formula C12H18N2O and a molecular weight of 206.29 g/mol. Its IUPAC name is 4-(methylamino)-N-(4-methylphenyl)butanamide.

Molecular Properties

Compound Name4-(methylamino)-N-(4-methylphenyl)butanamide
PubChem CID60842217
Molecular FormulaC12H18N2O
Molecular Weight206.29 g/mol
Exact Mass206.14
IUPAC Name4-(methylamino)-N-(4-methylphenyl)butanamide
SMILESCNCCCC(=O)Nc1ccc(C)cc1
InChIInChI=1S/C12H18N2O/c1-10-5-7-11(8-6-10)14-12(15)4-3-9-13-2/h5-8,13H,3-4,9H2,1-2H3,(H,14,15)
InChIKeyYQNALYWFJKPMBP-UHFFFAOYSA-N
XLogP1.93
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(3,4-dimethylphenyl)-4-(methylamino)butanamide
CID 60842744
methyl N-[4-[4-(methylamino)butanoylamino]phenyl]carbamate
CID 60841899
N-(4-acetylphenyl)-4-(methylamino)butanamide
CID 61258439
4-(methylamino)-N-phenylbutanamide;hydrochloride
CID 75493451
N-(4-methylphenyl)pentanamide
CID 3662375
N-(4-ethylsulfonylphenyl)-4-(methylamino)butanamide
CID 60842770
N-(3-fluoro-4-methylphenyl)-4-(methylamino)butanamide
CID 60841509
N-(4-ethoxyphenyl)-4-(methylamino)butanamide;hydrochloride
CID 119670696
N-[4-[4-(methylamino)butanoylamino]phenyl]cyclopropanecarboxamide
CID 61251881
N-(4-ethyl-3-methylphenyl)-4-(methylamino)butanamide
CID 114250285
2-[4-[4-(methylamino)butanoylamino]phenoxy]acetic acid
CID 63745885
N'-(3,5-dimethylphenyl)-N-(4-methylphenyl)decanediamide
CID 173312766

Frequently Asked Questions

What is the IUPAC name of 4-(methylamino)-N-(4-methylphenyl)butanamide?
The IUPAC name of 4-(methylamino)-N-(4-methylphenyl)butanamide (CID 60842217) is 4-(methylamino)-N-(4-methylphenyl)butanamide.
What is the SMILES notation for 4-(methylamino)-N-(4-methylphenyl)butanamide?
The canonical SMILES for 4-(methylamino)-N-(4-methylphenyl)butanamide is CNCCCC(=O)Nc1ccc(C)cc1.
What is the InChIKey of 4-(methylamino)-N-(4-methylphenyl)butanamide?
The InChIKey is YQNALYWFJKPMBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O/c1-10-5-7-11(8-6-10)14-12(15)4-3-9-13-2/h5-8,13H,3-4,9H2,1-2H3,(H,14,15).
What are the key properties of 4-(methylamino)-N-(4-methylphenyl)butanamide?
4-(methylamino)-N-(4-methylphenyl)butanamide has a molecular weight of 206.29 g/mol, XLogP of 1.93, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methylamino)-N-(4-methylphenyl)butanamide is sourced from PubChem (CID 60842217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).