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

C22H25N3O4 — CID 18089950

IUPACN-(2-methylpropyl)-2-[4-(2-oxo-1,3-benzoxazol-3-yl)butanoylamino]benzamide
SMILESCC(C)CNC(=O)c1ccccc1NC(=O)CCCn1c(=O)oc2ccccc21
InChIInChI=1S/C22H25N3O4/c1-15(2)14-23-21(27)16-8-3-4-9-17(16)24-20(26)12-7-13-25-18-10-5-6-11-19(18)29-22(25)28/h3-6,8-11,15H,7,12-14H2,1-2H3,(H,23,27)(H,24,26)
InChIKeyHAYGERMGHFBWLE-UHFFFAOYSA-N
MW395.46 g/mol
LogP3.40
Rot. Bonds8

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

N-(2-methylpropyl)-2-[4-(2-oxo-1,3-benzoxazol-3-yl)butanoylamino]benzamide (PubChem CID 18089950) has the molecular formula C22H25N3O4 and a molecular weight of 395.46 g/mol. Its IUPAC name is N-(2-methylpropyl)-2-[4-(2-oxo-1,3-benzoxazol-3-yl)butanoylamino]benzamide.

Molecular Properties

Compound NameN-(2-methylpropyl)-2-[4-(2-oxo-1,3-benzoxazol-3-yl)butanoylamino]benzamide
PubChem CID18089950
Molecular FormulaC22H25N3O4
Molecular Weight395.46 g/mol
Exact Mass395.18
IUPAC NameN-(2-methylpropyl)-2-[4-(2-oxo-1,3-benzoxazol-3-yl)butanoylamino]benzamide
SMILESCC(C)CNC(=O)c1ccccc1NC(=O)CCCn1c(=O)oc2ccccc21
InChIInChI=1S/C22H25N3O4/c1-15(2)14-23-21(27)16-8-3-4-9-17(16)24-20(26)12-7-13-25-18-10-5-6-11-19(18)29-22(25)28/h3-6,8-11,15H,7,12-14H2,1-2H3,(H,23,27)(H,24,26)
InChIKeyHAYGERMGHFBWLE-UHFFFAOYSA-N
XLogP3.40
TPSA93.34 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.46
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-amino-3-oxopropyl)-2-[4-(2-oxo-1,3-benzoxazol-3-yl)butanoylamino]benzamide
CID 56516274
N-(2-methylpropyl)-2-(pentanoylamino)benzamide
CID 34734618
N-(2-methylpropyl)-2-[[2-(6-nitro-2-oxo-1,3-benzoxazol-3-yl)acetyl]amino]benzamide
CID 134044678
N-[(1S)-1-(4-fluorophenyl)ethyl]-4-(2-oxo-1,3-benzoxazol-3-yl)butanamide
CID 9410020
N-(4-fluorophenyl)-4-(2-oxo-1,3-benzoxazol-3-yl)butanamide
CID 4822275
2-(butanoylamino)-N-(2-methylpropyl)benzamide
CID 37034782
propan-2-yl 3-[4-(2-oxo-1,3-benzoxazol-3-yl)butanoylamino]propanoate
CID 18204942
4-(2-oxo-1,3-benzoxazol-3-yl)-N-[3-(propanoylamino)phenyl]butanamide
CID 46578619
4-(2-oxo-1,3-benzoxazol-3-yl)-N-(4-pyrazol-1-ylphenyl)butanamide
CID 31907341
N-(2,3-dimethylphenyl)-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide
CID 3163772
3-(2-oxo-1,3-benzoxazol-3-yl)-N-(2-oxo-1H-pyridin-3-yl)propanamide
CID 51101208
N-(3-acetylphenyl)-4-(2-oxo-1,3-benzoxazol-3-yl)butanamide
CID 4822292

Frequently Asked Questions

What is the IUPAC name of N-(2-methylpropyl)-2-[4-(2-oxo-1,3-benzoxazol-3-yl)butanoylamino]benzamide?
The IUPAC name of N-(2-methylpropyl)-2-[4-(2-oxo-1,3-benzoxazol-3-yl)butanoylamino]benzamide (CID 18089950) is N-(2-methylpropyl)-2-[4-(2-oxo-1,3-benzoxazol-3-yl)butanoylamino]benzamide.
What is the SMILES notation for N-(2-methylpropyl)-2-[4-(2-oxo-1,3-benzoxazol-3-yl)butanoylamino]benzamide?
The canonical SMILES for N-(2-methylpropyl)-2-[4-(2-oxo-1,3-benzoxazol-3-yl)butanoylamino]benzamide is CC(C)CNC(=O)c1ccccc1NC(=O)CCCn1c(=O)oc2ccccc21.
What is the InChIKey of N-(2-methylpropyl)-2-[4-(2-oxo-1,3-benzoxazol-3-yl)butanoylamino]benzamide?
The InChIKey is HAYGERMGHFBWLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O4/c1-15(2)14-23-21(27)16-8-3-4-9-17(16)24-20(26)12-7-13-25-18-10-5-6-11-19(18)29-22(25)28/h3-6,8-11,15H,7,12-14H2,1-2H3,(H,23,27)(H,24,26).
What are the key properties of N-(2-methylpropyl)-2-[4-(2-oxo-1,3-benzoxazol-3-yl)butanoylamino]benzamide?
N-(2-methylpropyl)-2-[4-(2-oxo-1,3-benzoxazol-3-yl)butanoylamino]benzamide has a molecular weight of 395.46 g/mol, XLogP of 3.40, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpropyl)-2-[4-(2-oxo-1,3-benzoxazol-3-yl)butanoylamino]benzamide is sourced from PubChem (CID 18089950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).