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

C20H22N2O3 — CID 84938811

IUPAC3-(4-ethylphenyl)-N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)propanamide
SMILESCCc1ccc(CCC(=O)Nc2ccc3c(c2)NC(=O)C(C)O3)cc1
InChIInChI=1S/C20H22N2O3/c1-3-14-4-6-15(7-5-14)8-11-19(23)21-16-9-10-18-17(12-16)22-20(24)13(2)25-18/h4-7,9-10,12-13H,3,8,11H2,1-2H3,(H,21,23)(H,22,24)
InChIKeyVTVHIBBELUYVRN-UHFFFAOYSA-N
MW338.41 g/mol
LogP3.54
Rot. Bonds5

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

3-(4-ethylphenyl)-N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)propanamide (PubChem CID 84938811) has the molecular formula C20H22N2O3 and a molecular weight of 338.41 g/mol. Its IUPAC name is 3-(4-ethylphenyl)-N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)propanamide.

Molecular Properties

Compound Name3-(4-ethylphenyl)-N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)propanamide
PubChem CID84938811
Molecular FormulaC20H22N2O3
Molecular Weight338.41 g/mol
Exact Mass338.16
IUPAC Name3-(4-ethylphenyl)-N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)propanamide
SMILESCCc1ccc(CCC(=O)Nc2ccc3c(c2)NC(=O)C(C)O3)cc1
InChIInChI=1S/C20H22N2O3/c1-3-14-4-6-15(7-5-14)8-11-19(23)21-16-9-10-18-17(12-16)22-20(24)13(2)25-18/h4-7,9-10,12-13H,3,8,11H2,1-2H3,(H,21,23)(H,22,24)
InChIKeyVTVHIBBELUYVRN-UHFFFAOYSA-N
XLogP3.54
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(4-chlorophenyl)-N-[(2S)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]butanamide
CID 51958466
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CID 42506170
N-[(2R)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]-3-pyridin-3-ylpropanamide
CID 40686360
N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)-3-(2-methylphenyl)propanamide
CID 110778176
4-amino-N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)butanamide;hydrochloride
CID 119273981
(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)carbamic acid
CID 115170648
N-methyl-3-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)propanamide
CID 66716761
3-(cyclopropylamino)-N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)propanamide
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CID 9146076
N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)-2-(propan-2-ylamino)acetamide
CID 60843067
3-(3,6-dimethyl-2,4-dioxo-1H-pyrimidin-5-yl)-N-[(2R)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]propanamide
CID 30865597
3-(1H-benzimidazol-2-yl)-N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)propanamide
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Frequently Asked Questions

What is the IUPAC name of 3-(4-ethylphenyl)-N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)propanamide?
The IUPAC name of 3-(4-ethylphenyl)-N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)propanamide (CID 84938811) is 3-(4-ethylphenyl)-N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)propanamide.
What is the SMILES notation for 3-(4-ethylphenyl)-N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)propanamide?
The canonical SMILES for 3-(4-ethylphenyl)-N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)propanamide is CCc1ccc(CCC(=O)Nc2ccc3c(c2)NC(=O)C(C)O3)cc1.
What is the InChIKey of 3-(4-ethylphenyl)-N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)propanamide?
The InChIKey is VTVHIBBELUYVRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O3/c1-3-14-4-6-15(7-5-14)8-11-19(23)21-16-9-10-18-17(12-16)22-20(24)13(2)25-18/h4-7,9-10,12-13H,3,8,11H2,1-2H3,(H,21,23)(H,22,24).
What are the key properties of 3-(4-ethylphenyl)-N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)propanamide?
3-(4-ethylphenyl)-N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)propanamide has a molecular weight of 338.41 g/mol, XLogP of 3.54, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-ethylphenyl)-N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)propanamide is sourced from PubChem (CID 84938811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).