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

C14H22N2O — CID 43180171

IUPACN-butan-2-yl-2-(2,3-dimethylanilino)acetamide
SMILESCCC(C)NC(=O)CNc1cccc(C)c1C
InChIInChI=1S/C14H22N2O/c1-5-11(3)16-14(17)9-15-13-8-6-7-10(2)12(13)4/h6-8,11,15H,5,9H2,1-4H3,(H,16,17)
InChIKeyBYPPSUDUFLGPQE-UHFFFAOYSA-N
MW234.34 g/mol
LogP2.63
Rot. Bonds5

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

N-butan-2-yl-2-(2,3-dimethylanilino)acetamide (PubChem CID 43180171) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is N-butan-2-yl-2-(2,3-dimethylanilino)acetamide.

Molecular Properties

Compound NameN-butan-2-yl-2-(2,3-dimethylanilino)acetamide
PubChem CID43180171
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC NameN-butan-2-yl-2-(2,3-dimethylanilino)acetamide
SMILESCCC(C)NC(=O)CNc1cccc(C)c1C
InChIInChI=1S/C14H22N2O/c1-5-11(3)16-14(17)9-15-13-8-6-7-10(2)12(13)4/h6-8,11,15H,5,9H2,1-4H3,(H,16,17)
InChIKeyBYPPSUDUFLGPQE-UHFFFAOYSA-N
XLogP2.63
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2,3-dimethylanilino)-N-(3-methylbutan-2-yl)acetamide
CID 60683498
N-butan-2-yl-4-[[2-(2,3-dimethylanilino)-2-oxoethyl]amino]benzamide
CID 54834432
2-(2,3-dimethylanilino)-N-[(1S)-1-phenylethyl]acetamide
CID 9080783
1-[(2S)-butan-2-yl]-3-(2,3-dimethylphenyl)thiourea
CID 8619676
N-[(2R)-butan-2-yl]-2-(2,3-dimethylphenoxy)acetamide
CID 728123
N-[5-[[2-(2,3-dimethylanilino)acetyl]amino]-2-methylphenyl]propanamide
CID 54816178
1-(2,3-dimethylphenyl)-3-(1-hydroxypropan-2-yl)urea
CID 110890295
N-[3-[[2-(2,6-dimethylanilino)-2-oxoethyl]amino]-2-methylphenyl]propanamide
CID 38773209
2-(2,3-dimethylanilino)-N-[2-(2-methylpropoxy)phenyl]acetamide
CID 54815991
N-butan-2-yl-2-(2-fluoro-4-methylanilino)acetamide
CID 43089124
2-(2-bromo-5-methylanilino)-N-butan-2-ylacetamide
CID 82713327
N-butan-2-yl-2-[2-methyl-5-(trifluoromethyl)anilino]acetamide
CID 66476966

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-2-(2,3-dimethylanilino)acetamide?
The IUPAC name of N-butan-2-yl-2-(2,3-dimethylanilino)acetamide (CID 43180171) is N-butan-2-yl-2-(2,3-dimethylanilino)acetamide.
What is the SMILES notation for N-butan-2-yl-2-(2,3-dimethylanilino)acetamide?
The canonical SMILES for N-butan-2-yl-2-(2,3-dimethylanilino)acetamide is CCC(C)NC(=O)CNc1cccc(C)c1C.
What is the InChIKey of N-butan-2-yl-2-(2,3-dimethylanilino)acetamide?
The InChIKey is BYPPSUDUFLGPQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c1-5-11(3)16-14(17)9-15-13-8-6-7-10(2)12(13)4/h6-8,11,15H,5,9H2,1-4H3,(H,16,17).
What are the key properties of N-butan-2-yl-2-(2,3-dimethylanilino)acetamide?
N-butan-2-yl-2-(2,3-dimethylanilino)acetamide has a molecular weight of 234.34 g/mol, XLogP of 2.63, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-2-(2,3-dimethylanilino)acetamide is sourced from PubChem (CID 43180171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).