N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)-2-(propan-2-ylamino)acetamide

C14H19N3O3 — CID 60843067

IUPACN-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)-2-(propan-2-ylamino)acetamide
SMILESCC(C)NCC(=O)Nc1ccc2c(c1)NC(=O)C(C)O2
InChIInChI=1S/C14H19N3O3/c1-8(2)15-7-13(18)16-10-4-5-12-11(6-10)17-14(19)9(3)20-12/h4-6,8-9,15H,7H2,1-3H3,(H,16,18)(H,17,19)
InChIKeyBNFWYCOYIJLBIH-UHFFFAOYSA-N
MW277.32 g/mol
LogP1.34
Rot. Bonds4

About N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)-2-(propan-2-ylamino)acetamide

N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)-2-(propan-2-ylamino)acetamide (PubChem CID 60843067) has the molecular formula C14H19N3O3 and a molecular weight of 277.32 g/mol. Its IUPAC name is N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)-2-(propan-2-ylamino)acetamide.

Molecular Properties

Compound NameN-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)-2-(propan-2-ylamino)acetamide
PubChem CID60843067
Molecular FormulaC14H19N3O3
Molecular Weight277.32 g/mol
Exact Mass277.14
IUPAC NameN-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)-2-(propan-2-ylamino)acetamide
SMILESCC(C)NCC(=O)Nc1ccc2c(c1)NC(=O)C(C)O2
InChIInChI=1S/C14H19N3O3/c1-8(2)15-7-13(18)16-10-4-5-12-11(6-10)17-14(19)9(3)20-12/h4-6,8-9,15H,7H2,1-3H3,(H,16,18)(H,17,19)
InChIKeyBNFWYCOYIJLBIH-UHFFFAOYSA-N
XLogP1.34
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 51.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2R)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]propanamide
CID 42506170
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
N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)-2-(prop-2-enylamino)acetamide
CID 79284913
N-[2-[(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)amino]-2-oxoethyl]cyclohexanecarboxamide
CID 18126600
3,5-dimethyl-N-[2-[[(2S)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]amino]-2-oxoethyl]benzamide
CID 26002088
N-[2-[[(2S)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]amino]-2-oxoethyl]-2-phenylacetamide
CID 9145419
2-(2-methoxyethylamino)-N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)acetamide;hydrochloride
CID 119694637
4-fluoro-N-[2-[(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)amino]-2-oxoethyl]benzamide
CID 46674146
4-amino-N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)butanamide;hydrochloride
CID 119273981
2-(2-fluorophenyl)-N-[(2R)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]acetamide
CID 9145610
N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)-3-(2-methylphenyl)propanamide
CID 110778176

Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)-2-(propan-2-ylamino)acetamide?
The IUPAC name of N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)-2-(propan-2-ylamino)acetamide (CID 60843067) is N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)-2-(propan-2-ylamino)acetamide.
What is the SMILES notation for N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)-2-(propan-2-ylamino)acetamide?
The canonical SMILES for N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)-2-(propan-2-ylamino)acetamide is CC(C)NCC(=O)Nc1ccc2c(c1)NC(=O)C(C)O2.
What is the InChIKey of N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)-2-(propan-2-ylamino)acetamide?
The InChIKey is BNFWYCOYIJLBIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O3/c1-8(2)15-7-13(18)16-10-4-5-12-11(6-10)17-14(19)9(3)20-12/h4-6,8-9,15H,7H2,1-3H3,(H,16,18)(H,17,19).
What are the key properties of N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)-2-(propan-2-ylamino)acetamide?
N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)-2-(propan-2-ylamino)acetamide has a molecular weight of 277.32 g/mol, XLogP of 1.34, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)-2-(propan-2-ylamino)acetamide is sourced from PubChem (CID 60843067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).