3-amino-N,3-dimethyl-N-(2,3,4-trimethylphenyl)butanamide

C15H24N2O — CID 115154948

IUPAC3-amino-N,3-dimethyl-N-(2,3,4-trimethylphenyl)butanamide
SMILESCc1ccc(N(C)C(=O)CC(C)(C)N)c(C)c1C
InChIInChI=1S/C15H24N2O/c1-10-7-8-13(12(3)11(10)2)17(6)14(18)9-15(4,5)16/h7-8H,9,16H2,1-6H3
InChIKeyKDNHGFJJOHIGET-UHFFFAOYSA-N
MW248.37 g/mol
LogP2.70
Rot. Bonds3

About 3-amino-N,3-dimethyl-N-(2,3,4-trimethylphenyl)butanamide

3-amino-N,3-dimethyl-N-(2,3,4-trimethylphenyl)butanamide (PubChem CID 115154948) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is 3-amino-N,3-dimethyl-N-(2,3,4-trimethylphenyl)butanamide.

Molecular Properties

Compound Name3-amino-N,3-dimethyl-N-(2,3,4-trimethylphenyl)butanamide
PubChem CID115154948
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC Name3-amino-N,3-dimethyl-N-(2,3,4-trimethylphenyl)butanamide
SMILESCc1ccc(N(C)C(=O)CC(C)(C)N)c(C)c1C
InChIInChI=1S/C15H24N2O/c1-10-7-8-13(12(3)11(10)2)17(6)14(18)9-15(4,5)16/h7-8H,9,16H2,1-6H3
InChIKeyKDNHGFJJOHIGET-UHFFFAOYSA-N
XLogP2.70
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(3-amino-3-methylbutanoyl)-methylamino]benzoic acid
CID 64677769
2,2,2-trifluoro-N-methyl-N-(2,3,4-trimethylphenyl)acetamide
CID 115190221
3-amino-N-(2-methoxyphenyl)-N,3-dimethylbutanamide
CID 64678245
3-amino-N-(5-bromo-2-fluorophenyl)-N,3-dimethylbutanamide
CID 115154940
3-amino-N-(4-ethoxy-3-methylphenyl)-N,3-dimethylbutanamide
CID 115154910
4-amino-N-(2,5-dimethylphenyl)-N,4-dimethylpentanamide
CID 115157531
3-amino-N-(5-bromothiophen-2-yl)-N,3-dimethylbutanamide
CID 115154895
3-amino-N-[(2,4-dimethylphenyl)methyl]-N,3-dimethylbutanamide
CID 64685871
2-amino-N-(4-methoxy-2,3-dimethylphenyl)-N-methylacetamide
CID 82494478
(E)-4-(N,2,3,4-tetramethylanilino)but-2-enoic acid
CID 115237061
4-amino-N,4-dimethyl-N-(2,4,5-trimethylphenyl)pentanamide
CID 115157554
2-bromo-N-(2,3-dimethylphenyl)-N-methylacetamide
CID 10682477

Frequently Asked Questions

What is the IUPAC name of 3-amino-N,3-dimethyl-N-(2,3,4-trimethylphenyl)butanamide?
The IUPAC name of 3-amino-N,3-dimethyl-N-(2,3,4-trimethylphenyl)butanamide (CID 115154948) is 3-amino-N,3-dimethyl-N-(2,3,4-trimethylphenyl)butanamide.
What is the SMILES notation for 3-amino-N,3-dimethyl-N-(2,3,4-trimethylphenyl)butanamide?
The canonical SMILES for 3-amino-N,3-dimethyl-N-(2,3,4-trimethylphenyl)butanamide is Cc1ccc(N(C)C(=O)CC(C)(C)N)c(C)c1C.
What is the InChIKey of 3-amino-N,3-dimethyl-N-(2,3,4-trimethylphenyl)butanamide?
The InChIKey is KDNHGFJJOHIGET-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-10-7-8-13(12(3)11(10)2)17(6)14(18)9-15(4,5)16/h7-8H,9,16H2,1-6H3.
What are the key properties of 3-amino-N,3-dimethyl-N-(2,3,4-trimethylphenyl)butanamide?
3-amino-N,3-dimethyl-N-(2,3,4-trimethylphenyl)butanamide has a molecular weight of 248.37 g/mol, XLogP of 2.70, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N,3-dimethyl-N-(2,3,4-trimethylphenyl)butanamide is sourced from PubChem (CID 115154948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).