2-(2,3-dimethylanilino)-N-(3-methylbutan-2-yl)acetamide

C15H24N2O — CID 60683498

IUPAC2-(2,3-dimethylanilino)-N-(3-methylbutan-2-yl)acetamide
SMILESCc1cccc(NCC(=O)NC(C)C(C)C)c1C
InChIInChI=1S/C15H24N2O/c1-10(2)13(5)17-15(18)9-16-14-8-6-7-11(3)12(14)4/h6-8,10,13,16H,9H2,1-5H3,(H,17,18)
InChIKeyIUQBGZZYDDZMPQ-UHFFFAOYSA-N
MW248.37 g/mol
LogP2.88
Rot. Bonds5

About 2-(2,3-dimethylanilino)-N-(3-methylbutan-2-yl)acetamide

2-(2,3-dimethylanilino)-N-(3-methylbutan-2-yl)acetamide (PubChem CID 60683498) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is 2-(2,3-dimethylanilino)-N-(3-methylbutan-2-yl)acetamide.

Molecular Properties

Compound Name2-(2,3-dimethylanilino)-N-(3-methylbutan-2-yl)acetamide
PubChem CID60683498
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC Name2-(2,3-dimethylanilino)-N-(3-methylbutan-2-yl)acetamide
SMILESCc1cccc(NCC(=O)NC(C)C(C)C)c1C
InChIInChI=1S/C15H24N2O/c1-10(2)13(5)17-15(18)9-16-14-8-6-7-11(3)12(14)4/h6-8,10,13,16H,9H2,1-5H3,(H,17,18)
InChIKeyIUQBGZZYDDZMPQ-UHFFFAOYSA-N
XLogP2.88
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-butan-2-yl-2-(2,3-dimethylanilino)acetamide
CID 43180171
2-(2,3-dimethylanilino)-N-[(1S)-1-phenylethyl]acetamide
CID 9080783
N-(2,3-dimethylphenyl)-2-[4-[2-[[(2S)-3-methylbutan-2-yl]amino]-2-oxoethyl]piperazine-1,4-diium-1-yl]acetamide
CID 8711910
2-(2-tert-butylanilino)-N-(3-methylbutan-2-yl)acetamide
CID 60686094
methyl 2-[[2-(3-methylbutan-2-ylamino)-2-oxoethyl]amino]benzoate
CID 47122957
2-(2,3-dimethylanilino)-N-[2-(2-methylpropoxy)phenyl]acetamide
CID 54815991
methyl 3-(2,3-dimethylanilino)-2-methylpropanoate
CID 43538570
2-(2,6-diethylanilino)-N-(3-methylbutan-2-yl)acetamide
CID 62328197
2-(2-chloroanilino)-N-(2,3-dimethylphenyl)acetamide
CID 9098705
N-[5-[[2-(2,3-dimethylanilino)acetyl]amino]-2-methylphenyl]propanamide
CID 54816178
N-(4-chloro-2-methylphenyl)-2-(2,3-dimethylanilino)acetamide
CID 7636870
N-(2-benzylphenyl)-2-(2,3-dimethylanilino)acetamide
CID 9080869

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dimethylanilino)-N-(3-methylbutan-2-yl)acetamide?
The IUPAC name of 2-(2,3-dimethylanilino)-N-(3-methylbutan-2-yl)acetamide (CID 60683498) is 2-(2,3-dimethylanilino)-N-(3-methylbutan-2-yl)acetamide.
What is the SMILES notation for 2-(2,3-dimethylanilino)-N-(3-methylbutan-2-yl)acetamide?
The canonical SMILES for 2-(2,3-dimethylanilino)-N-(3-methylbutan-2-yl)acetamide is Cc1cccc(NCC(=O)NC(C)C(C)C)c1C.
What is the InChIKey of 2-(2,3-dimethylanilino)-N-(3-methylbutan-2-yl)acetamide?
The InChIKey is IUQBGZZYDDZMPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-10(2)13(5)17-15(18)9-16-14-8-6-7-11(3)12(14)4/h6-8,10,13,16H,9H2,1-5H3,(H,17,18).
What are the key properties of 2-(2,3-dimethylanilino)-N-(3-methylbutan-2-yl)acetamide?
2-(2,3-dimethylanilino)-N-(3-methylbutan-2-yl)acetamide has a molecular weight of 248.37 g/mol, XLogP of 2.88, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dimethylanilino)-N-(3-methylbutan-2-yl)acetamide is sourced from PubChem (CID 60683498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).