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

C19H20N2O4 — CID 18093093

IUPACN-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)-2-(3-methylphenoxy)propanamide
SMILESCc1cccc(OC(C)C(=O)Nc2ccc3c(c2)NC(=O)C(C)O3)c1
InChIInChI=1S/C19H20N2O4/c1-11-5-4-6-15(9-11)24-12(2)18(22)20-14-7-8-17-16(10-14)21-19(23)13(3)25-17/h4-10,12-13H,1-3H3,(H,20,22)(H,21,23)
InChIKeyVTYVIHWVRHJFSC-UHFFFAOYSA-N
MW340.38 g/mol
LogP3.12
Rot. Bonds4

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

N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)-2-(3-methylphenoxy)propanamide (PubChem CID 18093093) has the molecular formula C19H20N2O4 and a molecular weight of 340.38 g/mol. Its IUPAC name is N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)-2-(3-methylphenoxy)propanamide.

Molecular Properties

Compound NameN-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)-2-(3-methylphenoxy)propanamide
PubChem CID18093093
Molecular FormulaC19H20N2O4
Molecular Weight340.38 g/mol
Exact Mass340.14
IUPAC NameN-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)-2-(3-methylphenoxy)propanamide
SMILESCc1cccc(OC(C)C(=O)Nc2ccc3c(c2)NC(=O)C(C)O3)c1
InChIInChI=1S/C19H20N2O4/c1-11-5-4-6-15(9-11)24-12(2)18(22)20-14-7-8-17-16(10-14)21-19(23)13(3)25-17/h4-10,12-13H,1-3H3,(H,20,22)(H,21,23)
InChIKeyVTYVIHWVRHJFSC-UHFFFAOYSA-N
XLogP3.12
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-N-[(2R)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]-2-phenoxy-2-phenylacetamide
CID 51955827
(2R)-2-(3-methylphenoxy)-N-(3-methylphenyl)propanamide
CID 7946484
2-(3-methylphenoxy)-N-(3-methylphenyl)propanamide
CID 4931056
2-(3-methylphenoxy)-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylpropanamide
CID 112764855
(2S)-N-(3,5-dimethylphenyl)-2-(3-methylphenoxy)propanamide
CID 2168120
1-[(2S)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]-3-phenylurea
CID 41291616
2-methyl-N-[(2S)-4-methyl-1-[[(2R)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]amino]-1-oxopentan-2-yl]benzamide
CID 9145426
(2S)-2-(3-methylphenoxy)-N-(4-propan-2-yloxyphenyl)propanamide
CID 40771480
(2S)-N-[(2R)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]-2-[[(E)-3-phenylprop-2-enoyl]amino]propanamide
CID 9146461
2-methyl-N-[(2S)-3-methyl-1-[[(2S)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]amino]-1-oxobutan-2-yl]benzamide
CID 9145392
(2S)-2-[(4-methoxyphenyl)sulfonylamino]-N-[(2S)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]propanamide
CID 9145369
(2S)-2-(4-chlorophenyl)-3-methyl-N-[(2R)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]butanamide
CID 9145300

Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)-2-(3-methylphenoxy)propanamide?
The IUPAC name of N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)-2-(3-methylphenoxy)propanamide (CID 18093093) is N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)-2-(3-methylphenoxy)propanamide.
What is the SMILES notation for N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)-2-(3-methylphenoxy)propanamide?
The canonical SMILES for N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)-2-(3-methylphenoxy)propanamide is Cc1cccc(OC(C)C(=O)Nc2ccc3c(c2)NC(=O)C(C)O3)c1.
What is the InChIKey of N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)-2-(3-methylphenoxy)propanamide?
The InChIKey is VTYVIHWVRHJFSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O4/c1-11-5-4-6-15(9-11)24-12(2)18(22)20-14-7-8-17-16(10-14)21-19(23)13(3)25-17/h4-10,12-13H,1-3H3,(H,20,22)(H,21,23).
What are the key properties of N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)-2-(3-methylphenoxy)propanamide?
N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)-2-(3-methylphenoxy)propanamide has a molecular weight of 340.38 g/mol, XLogP of 3.12, 4 rotatable bonds, 2 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-(3-methylphenoxy)propanamide is sourced from PubChem (CID 18093093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).