2-[[3-(2-ethylbutanoylamino)benzoyl]amino]-N-(oxolan-2-ylmethyl)benzamide

C25H31N3O4 — CID 17321471

IUPAC2-[[3-(2-ethylbutanoylamino)benzoyl]amino]-N-(oxolan-2-ylmethyl)benzamide
SMILESCCC(CC)C(=O)Nc1cccc(C(=O)Nc2ccccc2C(=O)NCC2CCCO2)c1
InChIInChI=1S/C25H31N3O4/c1-3-17(4-2)23(29)27-19-10-7-9-18(15-19)24(30)28-22-13-6-5-12-21(22)25(31)26-16-20-11-8-14-32-20/h5-7,9-10,12-13,15,17,20H,3-4,8,11,14,16H2,1-2H3,(H,26,31)(H,27,29)(H,28,30)
InChIKeyLGUMGZKITZAPBU-UHFFFAOYSA-N
MW437.54 g/mol
LogP4.22
Rot. Bonds9

About 2-[[3-(2-ethylbutanoylamino)benzoyl]amino]-N-(oxolan-2-ylmethyl)benzamide

2-[[3-(2-ethylbutanoylamino)benzoyl]amino]-N-(oxolan-2-ylmethyl)benzamide (PubChem CID 17321471) has the molecular formula C25H31N3O4 and a molecular weight of 437.54 g/mol. Its IUPAC name is 2-[[3-(2-ethylbutanoylamino)benzoyl]amino]-N-(oxolan-2-ylmethyl)benzamide.

Molecular Properties

Compound Name2-[[3-(2-ethylbutanoylamino)benzoyl]amino]-N-(oxolan-2-ylmethyl)benzamide
PubChem CID17321471
Molecular FormulaC25H31N3O4
Molecular Weight437.54 g/mol
Exact Mass437.23
IUPAC Name2-[[3-(2-ethylbutanoylamino)benzoyl]amino]-N-(oxolan-2-ylmethyl)benzamide
SMILESCCC(CC)C(=O)Nc1cccc(C(=O)Nc2ccccc2C(=O)NCC2CCCO2)c1
InChIInChI=1S/C25H31N3O4/c1-3-17(4-2)23(29)27-19-10-7-9-18(15-19)24(30)28-22-13-6-5-12-21(22)25(31)26-16-20-11-8-14-32-20/h5-7,9-10,12-13,15,17,20H,3-4,8,11,14,16H2,1-2H3,(H,26,31)(H,27,29)(H,28,30)
InChIKeyLGUMGZKITZAPBU-UHFFFAOYSA-N
XLogP4.22
TPSA96.53 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.54
LogP ≤ 54.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(3-benzamidobenzoyl)amino]-N-(oxolan-2-ylmethyl)benzamide
CID 17321274
2-[(3-methylbenzoyl)amino]-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 7378718
N-(oxolan-2-ylmethyl)-2-[[3-(propan-2-ylsulfamoyl)benzoyl]amino]benzamide
CID 43040270
3-benzamido-4-methyl-N-[2-(oxolan-2-ylmethylcarbamoyl)phenyl]benzamide
CID 17226585
2-[[3-(methylsulfamoyl)benzoyl]amino]-N-(oxolan-2-ylmethyl)benzamide
CID 133231300
3-(2-ethylbutanoylamino)-N-[4-[[(2R)-oxolan-2-yl]methylsulfamoyl]phenyl]benzamide
CID 41300861
N-[[(2R)-oxolan-2-yl]methyl]-2-[[3-(2-phenoxyethoxy)benzoyl]amino]benzamide
CID 42427228
2-methyl-3-oxo-3-[2-(oxolan-2-ylmethylcarbamoyl)anilino]propanoic acid
CID 154795586
2-[[(2R)-2-chloropropanoyl]amino]-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 92660378
2-[(4-fluorobenzoyl)amino]-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 7378690
N-[2-(oxolan-2-ylmethylcarbamoyl)phenyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 46542044
2-[(2-methylsulfanylbenzoyl)amino]-N-(oxolan-2-ylmethyl)benzamide
CID 2989154

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(2-ethylbutanoylamino)benzoyl]amino]-N-(oxolan-2-ylmethyl)benzamide?
The IUPAC name of 2-[[3-(2-ethylbutanoylamino)benzoyl]amino]-N-(oxolan-2-ylmethyl)benzamide (CID 17321471) is 2-[[3-(2-ethylbutanoylamino)benzoyl]amino]-N-(oxolan-2-ylmethyl)benzamide.
What is the SMILES notation for 2-[[3-(2-ethylbutanoylamino)benzoyl]amino]-N-(oxolan-2-ylmethyl)benzamide?
The canonical SMILES for 2-[[3-(2-ethylbutanoylamino)benzoyl]amino]-N-(oxolan-2-ylmethyl)benzamide is CCC(CC)C(=O)Nc1cccc(C(=O)Nc2ccccc2C(=O)NCC2CCCO2)c1.
What is the InChIKey of 2-[[3-(2-ethylbutanoylamino)benzoyl]amino]-N-(oxolan-2-ylmethyl)benzamide?
The InChIKey is LGUMGZKITZAPBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N3O4/c1-3-17(4-2)23(29)27-19-10-7-9-18(15-19)24(30)28-22-13-6-5-12-21(22)25(31)26-16-20-11-8-14-32-20/h5-7,9-10,12-13,15,17,20H,3-4,8,11,14,16H2,1-2H3,(H,26,31)(H,27,29)(H,28,30).
What are the key properties of 2-[[3-(2-ethylbutanoylamino)benzoyl]amino]-N-(oxolan-2-ylmethyl)benzamide?
2-[[3-(2-ethylbutanoylamino)benzoyl]amino]-N-(oxolan-2-ylmethyl)benzamide has a molecular weight of 437.54 g/mol, XLogP of 4.22, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(2-ethylbutanoylamino)benzoyl]amino]-N-(oxolan-2-ylmethyl)benzamide is sourced from PubChem (CID 17321471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).