2-(3,4-dimethoxyphenyl)-N-(3-oxo-4-propyl-1,4-benzoxazin-6-yl)acetamide

C21H24N2O5 — CID 110493193

IUPAC2-(3,4-dimethoxyphenyl)-N-(3-oxo-4-propyl-1,4-benzoxazin-6-yl)acetamide
SMILESCCCN1C(=O)COc2ccc(NC(=O)Cc3ccc(OC)c(OC)c3)cc21
InChIInChI=1S/C21H24N2O5/c1-4-9-23-16-12-15(6-8-17(16)28-13-21(23)25)22-20(24)11-14-5-7-18(26-2)19(10-14)27-3/h5-8,10,12H,4,9,11,13H2,1-3H3,(H,22,24)
InChIKeyUHJUZHCCUNIIPE-UHFFFAOYSA-N
MW384.43 g/mol
LogP3.02
Rot. Bonds7

About 2-(3,4-dimethoxyphenyl)-N-(3-oxo-4-propyl-1,4-benzoxazin-6-yl)acetamide

2-(3,4-dimethoxyphenyl)-N-(3-oxo-4-propyl-1,4-benzoxazin-6-yl)acetamide (PubChem CID 110493193) has the molecular formula C21H24N2O5 and a molecular weight of 384.43 g/mol. Its IUPAC name is 2-(3,4-dimethoxyphenyl)-N-(3-oxo-4-propyl-1,4-benzoxazin-6-yl)acetamide.

Molecular Properties

Compound Name2-(3,4-dimethoxyphenyl)-N-(3-oxo-4-propyl-1,4-benzoxazin-6-yl)acetamide
PubChem CID110493193
Molecular FormulaC21H24N2O5
Molecular Weight384.43 g/mol
Exact Mass384.17
IUPAC Name2-(3,4-dimethoxyphenyl)-N-(3-oxo-4-propyl-1,4-benzoxazin-6-yl)acetamide
SMILESCCCN1C(=O)COc2ccc(NC(=O)Cc3ccc(OC)c(OC)c3)cc21
InChIInChI=1S/C21H24N2O5/c1-4-9-23-16-12-15(6-8-17(16)28-13-21(23)25)22-20(24)11-14-5-7-18(26-2)19(10-14)27-3/h5-8,10,12H,4,9,11,13H2,1-3H3,(H,22,24)
InChIKeyUHJUZHCCUNIIPE-UHFFFAOYSA-N
XLogP3.02
TPSA77.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.43
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(4-methylphenyl)-N-(3-oxo-4-propyl-1,4-benzoxazin-6-yl)butanamide
CID 110493204
N-(3-oxo-4-propyl-1,4-benzoxazin-6-yl)cyclobutanecarboxamide
CID 110493196
N-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)-2-(4-methylphenyl)acetamide
CID 110778134
N-[(3,4-dimethoxyphenyl)methyl]-3-(3-oxo-1,4-benzoxazin-4-yl)propanamide
CID 17462579
N-(3,4-dimethylphenyl)-2-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)acetamide
CID 110770445
3-(2-methoxyphenyl)-N-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)propanamide
CID 110778123
2-(3,4-dimethoxyphenyl)-N-(2-methyl-1,3-dioxoisoindol-5-yl)acetamide
CID 16913183
2-(3,4-dimethoxyphenyl)-N-(5-methyl-6-oxobenzo[b][1,4]benzoxazepin-8-yl)acetamide
CID 40947176
6-(dimethylsulfamoylamino)-3-oxo-4-propyl-1,4-benzoxazine
CID 110504184
6-bromo-4-propyl-1,4-benzoxazin-3-one
CID 70699818
2-(3-chlorophenyl)-N-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)acetamide
CID 110778138
2-(3,4-dimethoxyphenyl)-N-(1-propanoyl-3,4-dihydro-2H-quinolin-7-yl)acetamide
CID 16835104

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethoxyphenyl)-N-(3-oxo-4-propyl-1,4-benzoxazin-6-yl)acetamide?
The IUPAC name of 2-(3,4-dimethoxyphenyl)-N-(3-oxo-4-propyl-1,4-benzoxazin-6-yl)acetamide (CID 110493193) is 2-(3,4-dimethoxyphenyl)-N-(3-oxo-4-propyl-1,4-benzoxazin-6-yl)acetamide.
What is the SMILES notation for 2-(3,4-dimethoxyphenyl)-N-(3-oxo-4-propyl-1,4-benzoxazin-6-yl)acetamide?
The canonical SMILES for 2-(3,4-dimethoxyphenyl)-N-(3-oxo-4-propyl-1,4-benzoxazin-6-yl)acetamide is CCCN1C(=O)COc2ccc(NC(=O)Cc3ccc(OC)c(OC)c3)cc21.
What is the InChIKey of 2-(3,4-dimethoxyphenyl)-N-(3-oxo-4-propyl-1,4-benzoxazin-6-yl)acetamide?
The InChIKey is UHJUZHCCUNIIPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O5/c1-4-9-23-16-12-15(6-8-17(16)28-13-21(23)25)22-20(24)11-14-5-7-18(26-2)19(10-14)27-3/h5-8,10,12H,4,9,11,13H2,1-3H3,(H,22,24).
What are the key properties of 2-(3,4-dimethoxyphenyl)-N-(3-oxo-4-propyl-1,4-benzoxazin-6-yl)acetamide?
2-(3,4-dimethoxyphenyl)-N-(3-oxo-4-propyl-1,4-benzoxazin-6-yl)acetamide has a molecular weight of 384.43 g/mol, XLogP of 3.02, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethoxyphenyl)-N-(3-oxo-4-propyl-1,4-benzoxazin-6-yl)acetamide is sourced from PubChem (CID 110493193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).