N-[(2R)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]propanamide

C12H14N2O3 — CID 42506170

IUPACN-[(2R)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]propanamide
SMILESCCC(=O)Nc1ccc2c(c1)NC(=O)[C@@H](C)O2
InChIInChI=1S/C12H14N2O3/c1-3-11(15)13-8-4-5-10-9(6-8)14-12(16)7(2)17-10/h4-7H,3H2,1-2H3,(H,13,15)(H,14,16)/t7-/m1/s1
InChIKeyPTVDERXVMCXJQU-SSDOTTSWSA-N
MW234.25 g/mol
LogP1.75
Rot. Bonds2

About N-[(2R)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]propanamide

N-[(2R)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]propanamide (PubChem CID 42506170) has the molecular formula C12H14N2O3 and a molecular weight of 234.25 g/mol. Its IUPAC name is N-[(2R)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]propanamide.

Molecular Properties

Compound NameN-[(2R)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]propanamide
PubChem CID42506170
Molecular FormulaC12H14N2O3
Molecular Weight234.25 g/mol
Exact Mass234.10
IUPAC NameN-[(2R)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]propanamide
SMILESCCC(=O)Nc1ccc2c(c1)NC(=O)[C@@H](C)O2
InChIInChI=1S/C12H14N2O3/c1-3-11(15)13-8-4-5-10-9(6-8)14-12(16)7(2)17-10/h4-7H,3H2,1-2H3,(H,13,15)(H,14,16)/t7-/m1/s1
InChIKeyPTVDERXVMCXJQU-SSDOTTSWSA-N
XLogP1.75
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.25
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(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-(propan-2-ylamino)acetamide
CID 60843067
3-(4-ethylphenyl)-N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)propanamide
CID 84938811
4-amino-N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)butanamide;hydrochloride
CID 119273981
N-[(2R)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]-2-[methyl(propan-2-yl)amino]acetamide
CID 94176787
N-[(2S)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]cyclopropanecarboxamide
CID 9146242
2-(2-fluorophenyl)-N-[(2R)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]acetamide
CID 9145610
3-(cyclopropylamino)-N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)propanamide
CID 60867993
N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)-2-(prop-2-enylamino)acetamide
CID 79284913
2-methyl-N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)pent-2-enamide
CID 76885149
1-[(2S)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]-3-phenylurea
CID 41291616
N-[2-[[(2S)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]amino]-2-oxoethyl]-2-phenylacetamide
CID 9145419

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]propanamide?
The IUPAC name of N-[(2R)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]propanamide (CID 42506170) is N-[(2R)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]propanamide.
What is the SMILES notation for N-[(2R)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]propanamide?
The canonical SMILES for N-[(2R)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]propanamide is CCC(=O)Nc1ccc2c(c1)NC(=O)[C@@H](C)O2.
What is the InChIKey of N-[(2R)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]propanamide?
The InChIKey is PTVDERXVMCXJQU-SSDOTTSWSA-N. The full InChI is InChI=1S/C12H14N2O3/c1-3-11(15)13-8-4-5-10-9(6-8)14-12(16)7(2)17-10/h4-7H,3H2,1-2H3,(H,13,15)(H,14,16)/t7-/m1/s1.
What are the key properties of N-[(2R)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]propanamide?
N-[(2R)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]propanamide has a molecular weight of 234.25 g/mol, XLogP of 1.75, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]propanamide is sourced from PubChem (CID 42506170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).