N-[(3,4-dimethoxyphenyl)methyl]-2-(2,6-dimethyl-3-oxo-1,4-benzoxazin-4-yl)-N-(oxolan-2-ylmethyl)acetamide

C26H32N2O6 — CID 3225036

IUPACN-[(3,4-dimethoxyphenyl)methyl]-2-(2,6-dimethyl-3-oxo-1,4-benzoxazin-4-yl)-N-(oxolan-2-ylmethyl)acetamide
SMILESCOc1ccc(CN(CC2CCCO2)C(=O)CN2C(=O)C(C)Oc3ccc(C)cc32)cc1OC
InChIInChI=1S/C26H32N2O6/c1-17-7-9-22-21(12-17)28(26(30)18(2)34-22)16-25(29)27(15-20-6-5-11-33-20)14-19-8-10-23(31-3)24(13-19)32-4/h7-10,12-13,18,20H,5-6,11,14-16H2,1-4H3
InChIKeyOLJLWZLGVAGWBA-UHFFFAOYSA-N
MW468.55 g/mol
LogP3.33
Rot. Bonds8

About N-[(3,4-dimethoxyphenyl)methyl]-2-(2,6-dimethyl-3-oxo-1,4-benzoxazin-4-yl)-N-(oxolan-2-ylmethyl)acetamide

N-[(3,4-dimethoxyphenyl)methyl]-2-(2,6-dimethyl-3-oxo-1,4-benzoxazin-4-yl)-N-(oxolan-2-ylmethyl)acetamide (PubChem CID 3225036) has the molecular formula C26H32N2O6 and a molecular weight of 468.55 g/mol. Its IUPAC name is N-[(3,4-dimethoxyphenyl)methyl]-2-(2,6-dimethyl-3-oxo-1,4-benzoxazin-4-yl)-N-(oxolan-2-ylmethyl)acetamide.

Molecular Properties

Compound NameN-[(3,4-dimethoxyphenyl)methyl]-2-(2,6-dimethyl-3-oxo-1,4-benzoxazin-4-yl)-N-(oxolan-2-ylmethyl)acetamide
PubChem CID3225036
Molecular FormulaC26H32N2O6
Molecular Weight468.55 g/mol
Exact Mass468.23
IUPAC NameN-[(3,4-dimethoxyphenyl)methyl]-2-(2,6-dimethyl-3-oxo-1,4-benzoxazin-4-yl)-N-(oxolan-2-ylmethyl)acetamide
SMILESCOc1ccc(CN(CC2CCCO2)C(=O)CN2C(=O)C(C)Oc3ccc(C)cc32)cc1OC
InChIInChI=1S/C26H32N2O6/c1-17-7-9-22-21(12-17)28(26(30)18(2)34-22)16-25(29)27(15-20-6-5-11-33-20)14-19-8-10-23(31-3)24(13-19)32-4/h7-10,12-13,18,20H,5-6,11,14-16H2,1-4H3
InChIKeyOLJLWZLGVAGWBA-UHFFFAOYSA-N
XLogP3.33
TPSA77.54 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.55
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dimethoxyphenyl)methyl]-2-(2,6-dimethyl-3-oxo-1,4-benzoxazin-4-yl)-N-(oxolan-2-ylmethyl)acetamide?
The IUPAC name of N-[(3,4-dimethoxyphenyl)methyl]-2-(2,6-dimethyl-3-oxo-1,4-benzoxazin-4-yl)-N-(oxolan-2-ylmethyl)acetamide (CID 3225036) is N-[(3,4-dimethoxyphenyl)methyl]-2-(2,6-dimethyl-3-oxo-1,4-benzoxazin-4-yl)-N-(oxolan-2-ylmethyl)acetamide.
What is the SMILES notation for N-[(3,4-dimethoxyphenyl)methyl]-2-(2,6-dimethyl-3-oxo-1,4-benzoxazin-4-yl)-N-(oxolan-2-ylmethyl)acetamide?
The canonical SMILES for N-[(3,4-dimethoxyphenyl)methyl]-2-(2,6-dimethyl-3-oxo-1,4-benzoxazin-4-yl)-N-(oxolan-2-ylmethyl)acetamide is COc1ccc(CN(CC2CCCO2)C(=O)CN2C(=O)C(C)Oc3ccc(C)cc32)cc1OC.
What is the InChIKey of N-[(3,4-dimethoxyphenyl)methyl]-2-(2,6-dimethyl-3-oxo-1,4-benzoxazin-4-yl)-N-(oxolan-2-ylmethyl)acetamide?
The InChIKey is OLJLWZLGVAGWBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N2O6/c1-17-7-9-22-21(12-17)28(26(30)18(2)34-22)16-25(29)27(15-20-6-5-11-33-20)14-19-8-10-23(31-3)24(13-19)32-4/h7-10,12-13,18,20H,5-6,11,14-16H2,1-4H3.
What are the key properties of N-[(3,4-dimethoxyphenyl)methyl]-2-(2,6-dimethyl-3-oxo-1,4-benzoxazin-4-yl)-N-(oxolan-2-ylmethyl)acetamide?
N-[(3,4-dimethoxyphenyl)methyl]-2-(2,6-dimethyl-3-oxo-1,4-benzoxazin-4-yl)-N-(oxolan-2-ylmethyl)acetamide has a molecular weight of 468.55 g/mol, XLogP of 3.33, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-dimethoxyphenyl)methyl]-2-(2,6-dimethyl-3-oxo-1,4-benzoxazin-4-yl)-N-(oxolan-2-ylmethyl)acetamide is sourced from PubChem (CID 3225036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).