3-methyl-2-[1-(2,4,5-trimethylphenyl)ethylamino]butanamide

C16H26N2O — CID 106344280

IUPAC3-methyl-2-[1-(2,4,5-trimethylphenyl)ethylamino]butanamide
SMILESCc1cc(C)c(C(C)NC(C(N)=O)C(C)C)cc1C
InChIInChI=1S/C16H26N2O/c1-9(2)15(16(17)19)18-13(6)14-8-11(4)10(3)7-12(14)5/h7-9,13,15,18H,1-6H3,(H2,17,19)
InChIKeyMYXQGTVTVJEZTK-UHFFFAOYSA-N
MW262.40 g/mol
LogP2.77
Rot. Bonds5

About 3-methyl-2-[1-(2,4,5-trimethylphenyl)ethylamino]butanamide

3-methyl-2-[1-(2,4,5-trimethylphenyl)ethylamino]butanamide (PubChem CID 106344280) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is 3-methyl-2-[1-(2,4,5-trimethylphenyl)ethylamino]butanamide.

Molecular Properties

Compound Name3-methyl-2-[1-(2,4,5-trimethylphenyl)ethylamino]butanamide
PubChem CID106344280
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Name3-methyl-2-[1-(2,4,5-trimethylphenyl)ethylamino]butanamide
SMILESCc1cc(C)c(C(C)NC(C(N)=O)C(C)C)cc1C
InChIInChI=1S/C16H26N2O/c1-9(2)15(16(17)19)18-13(6)14-8-11(4)10(3)7-12(14)5/h7-9,13,15,18H,1-6H3,(H2,17,19)
InChIKeyMYXQGTVTVJEZTK-UHFFFAOYSA-N
XLogP2.77
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-(2,5-difluoro-4-methylphenyl)ethylamino]-3-methylbutanamide
CID 106344464
2-[1-(2,4-dibromophenyl)ethylamino]-3-methylbutanamide
CID 106344290
2-[1-(5-fluoro-2-hydroxyphenyl)ethylamino]-3-methylbutanamide
CID 106344408
2-[1-(2-bromo-4-fluorophenyl)ethylamino]-3-methylbutanamide
CID 106344381
N-ethyl-2-[1-(2,4,5-trimethylphenyl)ethylamino]propanamide
CID 43574139
[(1S)-1-(2,4,5-trimethylphenyl)ethyl]hydrazine
CID 96656268
3-methyl-2-[1-(4-methyl-3-nitrophenyl)ethylamino]butanamide
CID 106344594
N-propyl-2-[1-(2,4,5-trimethylphenyl)ethylamino]propanamide
CID 43684764
methyl (2S)-2-[1-(3,4-dimethoxyphenyl)ethylamino]-3-methylbutanoate
CID 43452132
2-[1-(5-chlorothiophen-2-yl)ethylamino]-3-methylbutanamide
CID 103875860
2-[1-(4,5-dimethoxy-2-methylphenyl)ethylamino]-2-phenylacetamide
CID 56817003
N-[1-(2,4,5-trimethylphenyl)ethyl]pent-1-yn-3-amine
CID 114160593

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-[1-(2,4,5-trimethylphenyl)ethylamino]butanamide?
The IUPAC name of 3-methyl-2-[1-(2,4,5-trimethylphenyl)ethylamino]butanamide (CID 106344280) is 3-methyl-2-[1-(2,4,5-trimethylphenyl)ethylamino]butanamide.
What is the SMILES notation for 3-methyl-2-[1-(2,4,5-trimethylphenyl)ethylamino]butanamide?
The canonical SMILES for 3-methyl-2-[1-(2,4,5-trimethylphenyl)ethylamino]butanamide is Cc1cc(C)c(C(C)NC(C(N)=O)C(C)C)cc1C.
What is the InChIKey of 3-methyl-2-[1-(2,4,5-trimethylphenyl)ethylamino]butanamide?
The InChIKey is MYXQGTVTVJEZTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-9(2)15(16(17)19)18-13(6)14-8-11(4)10(3)7-12(14)5/h7-9,13,15,18H,1-6H3,(H2,17,19).
What are the key properties of 3-methyl-2-[1-(2,4,5-trimethylphenyl)ethylamino]butanamide?
3-methyl-2-[1-(2,4,5-trimethylphenyl)ethylamino]butanamide has a molecular weight of 262.40 g/mol, XLogP of 2.77, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-[1-(2,4,5-trimethylphenyl)ethylamino]butanamide is sourced from PubChem (CID 106344280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).