N-[4-[(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)amino]-4-oxobutan-2-yl]benzamide

C20H21N3O4 — CID 46628672

IUPACN-[4-[(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)amino]-4-oxobutan-2-yl]benzamide
SMILESCC(CC(=O)Nc1ccc2c(c1)NC(=O)C(C)O2)NC(=O)c1ccccc1
InChIInChI=1S/C20H21N3O4/c1-12(21-20(26)14-6-4-3-5-7-14)10-18(24)22-15-8-9-17-16(11-15)23-19(25)13(2)27-17/h3-9,11-13H,10H2,1-2H3,(H,21,26)(H,22,24)(H,23,25)
InChIKeyDMITUBSKXGEUSW-UHFFFAOYSA-N
MW367.41 g/mol
LogP2.55
Rot. Bonds5

About N-[4-[(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)amino]-4-oxobutan-2-yl]benzamide

N-[4-[(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)amino]-4-oxobutan-2-yl]benzamide (PubChem CID 46628672) has the molecular formula C20H21N3O4 and a molecular weight of 367.41 g/mol. Its IUPAC name is N-[4-[(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)amino]-4-oxobutan-2-yl]benzamide.

Molecular Properties

Compound NameN-[4-[(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)amino]-4-oxobutan-2-yl]benzamide
PubChem CID46628672
Molecular FormulaC20H21N3O4
Molecular Weight367.41 g/mol
Exact Mass367.15
IUPAC NameN-[4-[(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)amino]-4-oxobutan-2-yl]benzamide
SMILESCC(CC(=O)Nc1ccc2c(c1)NC(=O)C(C)O2)NC(=O)c1ccccc1
InChIInChI=1S/C20H21N3O4/c1-12(21-20(26)14-6-4-3-5-7-14)10-18(24)22-15-8-9-17-16(11-15)23-19(25)13(2)27-17/h3-9,11-13H,10H2,1-2H3,(H,21,26)(H,22,24)(H,23,25)
InChIKeyDMITUBSKXGEUSW-UHFFFAOYSA-N
XLogP2.55
TPSA96.53 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.41
LogP ≤ 52.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze N-[4-[(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)amino]-4-oxobutan-2-yl]benzamide with MolForge

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Related Compounds

N-[(2R)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]propanamide
CID 42506170
N-[(2S)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]-4-phenylbenzamide
CID 9145109
N-[2-[[(2S)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]amino]-2-oxoethyl]-2-phenylacetamide
CID 9145419
N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)-2-(propan-2-ylamino)acetamide
CID 60843067
2-benzhydryloxy-N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)acetamide
CID 46616642
N-[(2R)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]-2-[methyl(propan-2-yl)amino]acetamide
CID 94176787
(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)carbamic acid
CID 115170648
2-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)-N-phenylacetamide
CID 110770558
2-(2-fluorophenyl)-N-[(2R)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]acetamide
CID 9145610
4-fluoro-N-[2-[(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)amino]-2-oxoethyl]benzamide
CID 46674146
N-[(2S)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]-2-(2-propan-2-ylphenoxy)acetamide
CID 9145489
3,5-dimethyl-N-[2-[[(2S)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]amino]-2-oxoethyl]benzamide
CID 26002088

Frequently Asked Questions

What is the IUPAC name of N-[4-[(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)amino]-4-oxobutan-2-yl]benzamide?
The IUPAC name of N-[4-[(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)amino]-4-oxobutan-2-yl]benzamide (CID 46628672) is N-[4-[(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)amino]-4-oxobutan-2-yl]benzamide.
What is the SMILES notation for N-[4-[(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)amino]-4-oxobutan-2-yl]benzamide?
The canonical SMILES for N-[4-[(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)amino]-4-oxobutan-2-yl]benzamide is CC(CC(=O)Nc1ccc2c(c1)NC(=O)C(C)O2)NC(=O)c1ccccc1.
What is the InChIKey of N-[4-[(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)amino]-4-oxobutan-2-yl]benzamide?
The InChIKey is DMITUBSKXGEUSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O4/c1-12(21-20(26)14-6-4-3-5-7-14)10-18(24)22-15-8-9-17-16(11-15)23-19(25)13(2)27-17/h3-9,11-13H,10H2,1-2H3,(H,21,26)(H,22,24)(H,23,25).
What are the key properties of N-[4-[(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)amino]-4-oxobutan-2-yl]benzamide?
N-[4-[(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)amino]-4-oxobutan-2-yl]benzamide has a molecular weight of 367.41 g/mol, XLogP of 2.55, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)amino]-4-oxobutan-2-yl]benzamide is sourced from PubChem (CID 46628672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).