4-[3-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)propanoylamino]-N-propylbenzamide

C22H25N3O4 — CID 55894706

IUPAC4-[3-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)propanoylamino]-N-propylbenzamide
SMILESCCCNC(=O)c1ccc(NC(=O)CCN2C(=O)C(C)Oc3ccccc32)cc1
InChIInChI=1S/C22H25N3O4/c1-3-13-23-21(27)16-8-10-17(11-9-16)24-20(26)12-14-25-18-6-4-5-7-19(18)29-15(2)22(25)28/h4-11,15H,3,12-14H2,1-2H3,(H,23,27)(H,24,26)
InChIKeySTXSDDFQHCANHR-UHFFFAOYSA-N
MW395.46 g/mol
LogP2.97
Rot. Bonds7

About 4-[3-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)propanoylamino]-N-propylbenzamide

4-[3-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)propanoylamino]-N-propylbenzamide (PubChem CID 55894706) has the molecular formula C22H25N3O4 and a molecular weight of 395.46 g/mol. Its IUPAC name is 4-[3-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)propanoylamino]-N-propylbenzamide.

Molecular Properties

Compound Name4-[3-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)propanoylamino]-N-propylbenzamide
PubChem CID55894706
Molecular FormulaC22H25N3O4
Molecular Weight395.46 g/mol
Exact Mass395.18
IUPAC Name4-[3-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)propanoylamino]-N-propylbenzamide
SMILESCCCNC(=O)c1ccc(NC(=O)CCN2C(=O)C(C)Oc3ccccc32)cc1
InChIInChI=1S/C22H25N3O4/c1-3-13-23-21(27)16-8-10-17(11-9-16)24-20(26)12-14-25-18-6-4-5-7-19(18)29-15(2)22(25)28/h4-11,15H,3,12-14H2,1-2H3,(H,23,27)(H,24,26)
InChIKeySTXSDDFQHCANHR-UHFFFAOYSA-N
XLogP2.97
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.46
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[[4-[3-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)propanoylamino]benzoyl]amino]acetate
CID 46584733
N-[4-(2-amino-2-oxoethyl)phenyl]-3-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)propanamide
CID 55614384
N-[4-(cyclopropylcarbamoylamino)phenyl]-3-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)propanamide
CID 46533170
N-(3-chloro-4-methylphenyl)-3-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)propanamide
CID 55451332
5-[3-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)propanoylamino]benzene-1,3-dicarboxamide
CID 42923680
N-(2,6-diethylphenyl)-3-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)propanamide
CID 17498460
3-[3-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)propanoylamino]propanoic acid
CID 56686997
N-(3-chloro-4-cyanophenyl)-3-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)propanamide
CID 46647504
4-[[2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)acetyl]amino]benzoic acid
CID 23409297
N-(4-imidazo[1,2-a]pyridin-2-ylphenyl)-3-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)propanamide
CID 24582273
N-(2-hydroxypropyl)-3-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)propanamide
CID 78828367
N-[2-(4-tert-butylphenyl)ethyl]-3-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)propanamide
CID 46442103

Frequently Asked Questions

What is the IUPAC name of 4-[3-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)propanoylamino]-N-propylbenzamide?
The IUPAC name of 4-[3-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)propanoylamino]-N-propylbenzamide (CID 55894706) is 4-[3-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)propanoylamino]-N-propylbenzamide.
What is the SMILES notation for 4-[3-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)propanoylamino]-N-propylbenzamide?
The canonical SMILES for 4-[3-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)propanoylamino]-N-propylbenzamide is CCCNC(=O)c1ccc(NC(=O)CCN2C(=O)C(C)Oc3ccccc32)cc1.
What is the InChIKey of 4-[3-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)propanoylamino]-N-propylbenzamide?
The InChIKey is STXSDDFQHCANHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O4/c1-3-13-23-21(27)16-8-10-17(11-9-16)24-20(26)12-14-25-18-6-4-5-7-19(18)29-15(2)22(25)28/h4-11,15H,3,12-14H2,1-2H3,(H,23,27)(H,24,26).
What are the key properties of 4-[3-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)propanoylamino]-N-propylbenzamide?
4-[3-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)propanoylamino]-N-propylbenzamide has a molecular weight of 395.46 g/mol, XLogP of 2.97, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)propanoylamino]-N-propylbenzamide is sourced from PubChem (CID 55894706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).