N,N-diethyl-3-[4-(2-oxo-1,3-benzoxazol-3-yl)butanoylamino]benzamide

C22H25N3O4 — CID 31290190

IUPACN,N-diethyl-3-[4-(2-oxo-1,3-benzoxazol-3-yl)butanoylamino]benzamide
SMILESCCN(CC)C(=O)c1cccc(NC(=O)CCCn2c(=O)oc3ccccc32)c1
InChIInChI=1S/C22H25N3O4/c1-3-24(4-2)21(27)16-9-7-10-17(15-16)23-20(26)13-8-14-25-18-11-5-6-12-19(18)29-22(25)28/h5-7,9-12,15H,3-4,8,13-14H2,1-2H3,(H,23,26)
InChIKeyKKBHBTAZQVZYKG-UHFFFAOYSA-N
MW395.46 g/mol
LogP3.50
Rot. Bonds8

About N,N-diethyl-3-[4-(2-oxo-1,3-benzoxazol-3-yl)butanoylamino]benzamide

N,N-diethyl-3-[4-(2-oxo-1,3-benzoxazol-3-yl)butanoylamino]benzamide (PubChem CID 31290190) has the molecular formula C22H25N3O4 and a molecular weight of 395.46 g/mol. Its IUPAC name is N,N-diethyl-3-[4-(2-oxo-1,3-benzoxazol-3-yl)butanoylamino]benzamide.

Molecular Properties

Compound NameN,N-diethyl-3-[4-(2-oxo-1,3-benzoxazol-3-yl)butanoylamino]benzamide
PubChem CID31290190
Molecular FormulaC22H25N3O4
Molecular Weight395.46 g/mol
Exact Mass395.18
IUPAC NameN,N-diethyl-3-[4-(2-oxo-1,3-benzoxazol-3-yl)butanoylamino]benzamide
SMILESCCN(CC)C(=O)c1cccc(NC(=O)CCCn2c(=O)oc3ccccc32)c1
InChIInChI=1S/C22H25N3O4/c1-3-24(4-2)21(27)16-9-7-10-17(15-16)23-20(26)13-8-14-25-18-11-5-6-12-19(18)29-22(25)28/h5-7,9-12,15H,3-4,8,13-14H2,1-2H3,(H,23,26)
InChIKeyKKBHBTAZQVZYKG-UHFFFAOYSA-N
XLogP3.50
TPSA84.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.46
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-acetylphenyl)-4-(2-oxo-1,3-benzoxazol-3-yl)butanamide
CID 4822292
4-(2-oxo-1,3-benzoxazol-3-yl)-N-[3-(propanoylamino)phenyl]butanamide
CID 46578619
N,N'-bis[3-(diethylcarbamoyl)phenyl]decanediamide
CID 17194651
ethyl 4-[4-(2-oxo-1,3-benzoxazol-3-yl)butanoylamino]benzoate
CID 4805932
N-(4-fluorophenyl)-4-(2-oxo-1,3-benzoxazol-3-yl)butanamide
CID 4822275
N-[3-[(4R)-4-methyl-2,5-dioxoimidazolidin-4-yl]phenyl]-4-(2-oxo-1,3-benzoxazol-3-yl)butanamide
CID 51949462
N-(2,3-dihydro-1H-inden-5-yl)-4-(2-oxo-1,3-benzoxazol-3-yl)butanamide
CID 4822337
3-(2-oxo-1,3-benzoxazol-3-yl)-N-[3-(phenylcarbamoylamino)phenyl]propanamide
CID 55504169
N-(2-methyl-1,3-benzothiazol-6-yl)-4-(2-oxo-1,3-benzoxazol-3-yl)butanamide
CID 4782954
3-[3-(2-oxo-1,3-benzoxazol-3-yl)propanoylamino]-N-[3-(trifluoromethyl)phenyl]benzamide
CID 27990480
N-[[3-[(3-methylphenyl)carbamoylamino]phenyl]methyl]-4-(2-oxo-1,3-benzoxazol-3-yl)butanamide
CID 55817540
4-(2-oxo-1,3-benzoxazol-3-yl)-N-(4-phenoxyphenyl)butanamide
CID 7741918

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-3-[4-(2-oxo-1,3-benzoxazol-3-yl)butanoylamino]benzamide?
The IUPAC name of N,N-diethyl-3-[4-(2-oxo-1,3-benzoxazol-3-yl)butanoylamino]benzamide (CID 31290190) is N,N-diethyl-3-[4-(2-oxo-1,3-benzoxazol-3-yl)butanoylamino]benzamide.
What is the SMILES notation for N,N-diethyl-3-[4-(2-oxo-1,3-benzoxazol-3-yl)butanoylamino]benzamide?
The canonical SMILES for N,N-diethyl-3-[4-(2-oxo-1,3-benzoxazol-3-yl)butanoylamino]benzamide is CCN(CC)C(=O)c1cccc(NC(=O)CCCn2c(=O)oc3ccccc32)c1.
What is the InChIKey of N,N-diethyl-3-[4-(2-oxo-1,3-benzoxazol-3-yl)butanoylamino]benzamide?
The InChIKey is KKBHBTAZQVZYKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O4/c1-3-24(4-2)21(27)16-9-7-10-17(15-16)23-20(26)13-8-14-25-18-11-5-6-12-19(18)29-22(25)28/h5-7,9-12,15H,3-4,8,13-14H2,1-2H3,(H,23,26).
What are the key properties of N,N-diethyl-3-[4-(2-oxo-1,3-benzoxazol-3-yl)butanoylamino]benzamide?
N,N-diethyl-3-[4-(2-oxo-1,3-benzoxazol-3-yl)butanoylamino]benzamide has a molecular weight of 395.46 g/mol, XLogP of 3.50, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-3-[4-(2-oxo-1,3-benzoxazol-3-yl)butanoylamino]benzamide is sourced from PubChem (CID 31290190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).