N-(4-acetylphenyl)-4-(methylamino)butanamide

C13H18N2O2 — CID 61258439

IUPACN-(4-acetylphenyl)-4-(methylamino)butanamide
SMILESCNCCCC(=O)Nc1ccc(C(C)=O)cc1
InChIInChI=1S/C13H18N2O2/c1-10(16)11-5-7-12(8-6-11)15-13(17)4-3-9-14-2/h5-8,14H,3-4,9H2,1-2H3,(H,15,17)
InChIKeyHIHIYWVSHDYYDC-UHFFFAOYSA-N
MW234.30 g/mol
LogP1.83
Rot. Bonds6

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

N-(4-acetylphenyl)-4-(methylamino)butanamide (PubChem CID 61258439) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is N-(4-acetylphenyl)-4-(methylamino)butanamide.

Molecular Properties

Compound NameN-(4-acetylphenyl)-4-(methylamino)butanamide
PubChem CID61258439
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC NameN-(4-acetylphenyl)-4-(methylamino)butanamide
SMILESCNCCCC(=O)Nc1ccc(C(C)=O)cc1
InChIInChI=1S/C13H18N2O2/c1-10(16)11-5-7-12(8-6-11)15-13(17)4-3-9-14-2/h5-8,14H,3-4,9H2,1-2H3,(H,15,17)
InChIKeyHIHIYWVSHDYYDC-UHFFFAOYSA-N
XLogP1.83
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(methylamino)-N-(4-methylphenyl)butanamide
CID 60842217
methyl N-[4-[4-(methylamino)butanoylamino]phenyl]carbamate
CID 60841899
4-(methylamino)-N-phenylbutanamide;hydrochloride
CID 75493451
4-(methylamino)-N-[4-(pyrrolidine-1-carbonyl)phenyl]butanamide;hydrochloride
CID 119702385
N-(3,4-dimethylphenyl)-4-(methylamino)butanamide
CID 60842744
N-(4-ethylsulfonylphenyl)-4-(methylamino)butanamide
CID 60842770
N-[4-[4-(methylamino)butanoylamino]phenyl]cyclopropanecarboxamide
CID 61251881
N-(4-acetylphenyl)-5-aminohexanamide
CID 82852023
N-(4-ethoxyphenyl)-4-(methylamino)butanamide;hydrochloride
CID 119670696
N-(4-acetylphenyl)-4-(4-ethoxyphenoxy)butanamide
CID 7732574
N-(4-acetylphenyl)-5-(4-bromophenyl)-5-oxopentanamide
CID 110423647
2-[4-[4-(methylamino)butanoylamino]phenoxy]acetic acid
CID 63745885

Frequently Asked Questions

What is the IUPAC name of N-(4-acetylphenyl)-4-(methylamino)butanamide?
The IUPAC name of N-(4-acetylphenyl)-4-(methylamino)butanamide (CID 61258439) is N-(4-acetylphenyl)-4-(methylamino)butanamide.
What is the SMILES notation for N-(4-acetylphenyl)-4-(methylamino)butanamide?
The canonical SMILES for N-(4-acetylphenyl)-4-(methylamino)butanamide is CNCCCC(=O)Nc1ccc(C(C)=O)cc1.
What is the InChIKey of N-(4-acetylphenyl)-4-(methylamino)butanamide?
The InChIKey is HIHIYWVSHDYYDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2/c1-10(16)11-5-7-12(8-6-11)15-13(17)4-3-9-14-2/h5-8,14H,3-4,9H2,1-2H3,(H,15,17).
What are the key properties of N-(4-acetylphenyl)-4-(methylamino)butanamide?
N-(4-acetylphenyl)-4-(methylamino)butanamide has a molecular weight of 234.30 g/mol, XLogP of 1.83, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetylphenyl)-4-(methylamino)butanamide is sourced from PubChem (CID 61258439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).