2-(2-ethylbutanoylamino)benzamide

C13H18N2O2 — CID 1214109

IUPAC2-(2-ethylbutanoylamino)benzamide
SMILESCCC(CC)C(=O)Nc1ccccc1C(N)=O
InChIInChI=1S/C13H18N2O2/c1-3-9(4-2)13(17)15-11-8-6-5-7-10(11)12(14)16/h5-9H,3-4H2,1-2H3,(H2,14,16)(H,15,17)
InChIKeyRHCHLJOFUAFRRM-UHFFFAOYSA-N
MW234.30 g/mol
LogP2.16
Rot. Bonds5

About 2-(2-ethylbutanoylamino)benzamide

2-(2-ethylbutanoylamino)benzamide (PubChem CID 1214109) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is 2-(2-ethylbutanoylamino)benzamide.

Molecular Properties

Compound Name2-(2-ethylbutanoylamino)benzamide
PubChem CID1214109
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC Name2-(2-ethylbutanoylamino)benzamide
SMILESCCC(CC)C(=O)Nc1ccccc1C(N)=O
InChIInChI=1S/C13H18N2O2/c1-3-9(4-2)13(17)15-11-8-6-5-7-10(11)12(14)16/h5-9H,3-4H2,1-2H3,(H2,14,16)(H,15,17)
InChIKeyRHCHLJOFUAFRRM-UHFFFAOYSA-N
XLogP2.16
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-bromobutanoylamino)benzamide
CID 23323526
2-ethyl-N-[2-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenyl]butanamide
CID 24707294
2-(2-bromopropanoylamino)benzamide
CID 14588064
2-[[(2S)-2-phenoxybutanoyl]amino]benzamide
CID 898266
N'-(2-carbamoylphenyl)-N-(2-ethylphenyl)oxamide
CID 108529346
2-[(2-amino-4-methylpentanoyl)amino]benzamide
CID 24702801
2-[[(2R)-2-(2-methoxyphenoxy)butanoyl]amino]benzamide
CID 99132395
2-[[(2S)-2-amino-3,3-dimethylbutanoyl]amino]benzamide
CID 61148588
2-[[(2R)-2-bromo-4-methylpentanoyl]amino]benzamide
CID 825309
3-(2-ethylbutanoylamino)-2-methylbenzoic acid
CID 6458658
2-[[2-[[2-(2-ethylanilino)-2-oxoethyl]-methylamino]acetyl]amino]benzamide
CID 18135262
tert-butyl N-[1-(2-carbamoylanilino)-1-oxobutan-2-yl]carbamate
CID 123620758

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethylbutanoylamino)benzamide?
The IUPAC name of 2-(2-ethylbutanoylamino)benzamide (CID 1214109) is 2-(2-ethylbutanoylamino)benzamide.
What is the SMILES notation for 2-(2-ethylbutanoylamino)benzamide?
The canonical SMILES for 2-(2-ethylbutanoylamino)benzamide is CCC(CC)C(=O)Nc1ccccc1C(N)=O.
What is the InChIKey of 2-(2-ethylbutanoylamino)benzamide?
The InChIKey is RHCHLJOFUAFRRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2/c1-3-9(4-2)13(17)15-11-8-6-5-7-10(11)12(14)16/h5-9H,3-4H2,1-2H3,(H2,14,16)(H,15,17).
What are the key properties of 2-(2-ethylbutanoylamino)benzamide?
2-(2-ethylbutanoylamino)benzamide has a molecular weight of 234.30 g/mol, XLogP of 2.16, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethylbutanoylamino)benzamide is sourced from PubChem (CID 1214109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).