N-[2-(2,5-dimethylphenyl)ethyl]-4-(methylamino)butanamide

C15H24N2O — CID 115155771

IUPACN-[2-(2,5-dimethylphenyl)ethyl]-4-(methylamino)butanamide
SMILESCNCCCC(=O)NCCc1cc(C)ccc1C
InChIInChI=1S/C15H24N2O/c1-12-6-7-13(2)14(11-12)8-10-17-15(18)5-4-9-16-3/h6-7,11,16H,4-5,8-10H2,1-3H3,(H,17,18)
InChIKeyJVZVPTZBWBRZIN-UHFFFAOYSA-N
MW248.37 g/mol
LogP1.96
Rot. Bonds7

About N-[2-(2,5-dimethylphenyl)ethyl]-4-(methylamino)butanamide

N-[2-(2,5-dimethylphenyl)ethyl]-4-(methylamino)butanamide (PubChem CID 115155771) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is N-[2-(2,5-dimethylphenyl)ethyl]-4-(methylamino)butanamide.

Molecular Properties

Compound NameN-[2-(2,5-dimethylphenyl)ethyl]-4-(methylamino)butanamide
PubChem CID115155771
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC NameN-[2-(2,5-dimethylphenyl)ethyl]-4-(methylamino)butanamide
SMILESCNCCCC(=O)NCCc1cc(C)ccc1C
InChIInChI=1S/C15H24N2O/c1-12-6-7-13(2)14(11-12)8-10-17-15(18)5-4-9-16-3/h6-7,11,16H,4-5,8-10H2,1-3H3,(H,17,18)
InChIKeyJVZVPTZBWBRZIN-UHFFFAOYSA-N
XLogP1.96
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 51.96
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

3-[2-(2,5-dimethylphenyl)ethylamino]-3-oxopropanoic acid
CID 115163499
3-(2,4-dimethylphenyl)-N-[3-(methylamino)propyl]propanamide
CID 119430140
4-(methylamino)-N-[2-(3-methylphenyl)ethyl]butanamide;hydrochloride
CID 119745493
3-(2,4-dimethylphenyl)-N-[3-(methylamino)propyl]propanamide;hydrochloride
CID 119430139
N-[2-(2,6-dimethylphenyl)ethyl]-4-(methylamino)butanamide
CID 119788029
N-[2-(2,5-dimethylphenyl)ethyl]-2-(propan-2-ylamino)acetamide
CID 115158292
N-(2,5-dimethylphenyl)-4-(methylamino)butanamide;hydrochloride
CID 119669251
4-(methylamino)-N-[2-(4-methyl-1H-indol-3-yl)ethyl]butanamide
CID 119774506
N-[2-(2,4-dimethylphenyl)ethyl]-4-oxopentanamide
CID 115176935
4-(2,5-dimethylphenyl)-N',N'-dimethylbutanehydrazide
CID 116847676
4-(methylamino)-N-(2-naphthalen-1-ylethyl)butanamide;hydrochloride
CID 119722500
5-[2-(5-bromo-2-methylphenyl)ethylamino]-5-oxopentanoic acid
CID 115163884

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,5-dimethylphenyl)ethyl]-4-(methylamino)butanamide?
The IUPAC name of N-[2-(2,5-dimethylphenyl)ethyl]-4-(methylamino)butanamide (CID 115155771) is N-[2-(2,5-dimethylphenyl)ethyl]-4-(methylamino)butanamide.
What is the SMILES notation for N-[2-(2,5-dimethylphenyl)ethyl]-4-(methylamino)butanamide?
The canonical SMILES for N-[2-(2,5-dimethylphenyl)ethyl]-4-(methylamino)butanamide is CNCCCC(=O)NCCc1cc(C)ccc1C.
What is the InChIKey of N-[2-(2,5-dimethylphenyl)ethyl]-4-(methylamino)butanamide?
The InChIKey is JVZVPTZBWBRZIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-12-6-7-13(2)14(11-12)8-10-17-15(18)5-4-9-16-3/h6-7,11,16H,4-5,8-10H2,1-3H3,(H,17,18).
What are the key properties of N-[2-(2,5-dimethylphenyl)ethyl]-4-(methylamino)butanamide?
N-[2-(2,5-dimethylphenyl)ethyl]-4-(methylamino)butanamide has a molecular weight of 248.37 g/mol, XLogP of 1.96, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,5-dimethylphenyl)ethyl]-4-(methylamino)butanamide is sourced from PubChem (CID 115155771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).