4-[1-(2,4,6-trimethylphenyl)ethylamino]butanamide

C15H24N2O — CID 60865371

IUPAC4-[1-(2,4,6-trimethylphenyl)ethylamino]butanamide
SMILESCc1cc(C)c(C(C)NCCCC(N)=O)c(C)c1
InChIInChI=1S/C15H24N2O/c1-10-8-11(2)15(12(3)9-10)13(4)17-7-5-6-14(16)18/h8-9,13,17H,5-7H2,1-4H3,(H2,16,18)
InChIKeyNIFHDGUXAKNJLU-UHFFFAOYSA-N
MW248.37 g/mol
LogP2.53
Rot. Bonds6

About 4-[1-(2,4,6-trimethylphenyl)ethylamino]butanamide

4-[1-(2,4,6-trimethylphenyl)ethylamino]butanamide (PubChem CID 60865371) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is 4-[1-(2,4,6-trimethylphenyl)ethylamino]butanamide.

Molecular Properties

Compound Name4-[1-(2,4,6-trimethylphenyl)ethylamino]butanamide
PubChem CID60865371
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC Name4-[1-(2,4,6-trimethylphenyl)ethylamino]butanamide
SMILESCc1cc(C)c(C(C)NCCCC(N)=O)c(C)c1
InChIInChI=1S/C15H24N2O/c1-10-8-11(2)15(12(3)9-10)13(4)17-7-5-6-14(16)18/h8-9,13,17H,5-7H2,1-4H3,(H2,16,18)
InChIKeyNIFHDGUXAKNJLU-UHFFFAOYSA-N
XLogP2.53
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 52.53
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

4-[1-(2,5-dimethylfuran-3-yl)ethylamino]butanamide
CID 60864839
3-[1-(2,5-dimethylphenyl)ethylamino]propanamide
CID 43398362
N-(2-methoxyethyl)-1-(2,4,6-trimethylphenyl)ethanamine
CID 43190158
4-[1-(3,4-dichlorophenyl)ethylamino]butanamide
CID 60865196
4-[1-(2-hydroxyphenyl)ethylamino]butanamide
CID 60863382
5-[1-(3,5-dihydroxyphenyl)ethylamino]pentanamide
CID 106234521
2-methyl-N-[1-(2,4,6-trimethylphenyl)ethyl]propan-1-amine
CID 43097444
N-methyl-1-(2,4,6-trimethylphenyl)ethanamine
CID 16770838
3-[1-(2-hydroxy-4-methylphenyl)ethylamino]propanamide
CID 43553192
4-[1-(2-methylpyrazol-3-yl)ethylamino]butanamide
CID 106757536
4-[1-[3-(trifluoromethyl)phenyl]ethylamino]butanamide
CID 60865016
4-(2,6-dimethylheptan-4-ylamino)butanamide
CID 60863746

Frequently Asked Questions

What is the IUPAC name of 4-[1-(2,4,6-trimethylphenyl)ethylamino]butanamide?
The IUPAC name of 4-[1-(2,4,6-trimethylphenyl)ethylamino]butanamide (CID 60865371) is 4-[1-(2,4,6-trimethylphenyl)ethylamino]butanamide.
What is the SMILES notation for 4-[1-(2,4,6-trimethylphenyl)ethylamino]butanamide?
The canonical SMILES for 4-[1-(2,4,6-trimethylphenyl)ethylamino]butanamide is Cc1cc(C)c(C(C)NCCCC(N)=O)c(C)c1.
What is the InChIKey of 4-[1-(2,4,6-trimethylphenyl)ethylamino]butanamide?
The InChIKey is NIFHDGUXAKNJLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-10-8-11(2)15(12(3)9-10)13(4)17-7-5-6-14(16)18/h8-9,13,17H,5-7H2,1-4H3,(H2,16,18).
What are the key properties of 4-[1-(2,4,6-trimethylphenyl)ethylamino]butanamide?
4-[1-(2,4,6-trimethylphenyl)ethylamino]butanamide has a molecular weight of 248.37 g/mol, XLogP of 2.53, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(2,4,6-trimethylphenyl)ethylamino]butanamide is sourced from PubChem (CID 60865371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).