N-[(4-methoxyphenyl)methyl]-2-(3-oxo-1,4-benzoxazin-4-yl)-N-(pyridin-2-ylmethyl)acetamide

C24H23N3O4 — CID 653720

IUPACN-[(4-methoxyphenyl)methyl]-2-(3-oxo-1,4-benzoxazin-4-yl)-N-(pyridin-2-ylmethyl)acetamide
SMILESCOc1ccc(CN(Cc2ccccn2)C(=O)CN2C(=O)COc3ccccc32)cc1
InChIInChI=1S/C24H23N3O4/c1-30-20-11-9-18(10-12-20)14-26(15-19-6-4-5-13-25-19)23(28)16-27-21-7-2-3-8-22(21)31-17-24(27)29/h2-13H,14-17H2,1H3
InChIKeyPDDGMYIRJNWYMO-UHFFFAOYSA-N
MW417.47 g/mol
LogP3.04
Rot. Bonds7

About N-[(4-methoxyphenyl)methyl]-2-(3-oxo-1,4-benzoxazin-4-yl)-N-(pyridin-2-ylmethyl)acetamide

N-[(4-methoxyphenyl)methyl]-2-(3-oxo-1,4-benzoxazin-4-yl)-N-(pyridin-2-ylmethyl)acetamide (PubChem CID 653720) has the molecular formula C24H23N3O4 and a molecular weight of 417.47 g/mol. Its IUPAC name is N-[(4-methoxyphenyl)methyl]-2-(3-oxo-1,4-benzoxazin-4-yl)-N-(pyridin-2-ylmethyl)acetamide.

Molecular Properties

Compound NameN-[(4-methoxyphenyl)methyl]-2-(3-oxo-1,4-benzoxazin-4-yl)-N-(pyridin-2-ylmethyl)acetamide
PubChem CID653720
Molecular FormulaC24H23N3O4
Molecular Weight417.47 g/mol
Exact Mass417.17
IUPAC NameN-[(4-methoxyphenyl)methyl]-2-(3-oxo-1,4-benzoxazin-4-yl)-N-(pyridin-2-ylmethyl)acetamide
SMILESCOc1ccc(CN(Cc2ccccn2)C(=O)CN2C(=O)COc3ccccc32)cc1
InChIInChI=1S/C24H23N3O4/c1-30-20-11-9-18(10-12-20)14-26(15-19-6-4-5-13-25-19)23(28)16-27-21-7-2-3-8-22(21)31-17-24(27)29/h2-13H,14-17H2,1H3
InChIKeyPDDGMYIRJNWYMO-UHFFFAOYSA-N
XLogP3.04
TPSA71.97 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.47
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxyphenyl)methyl]-2-(3-oxo-1,4-benzoxazin-4-yl)-N-(pyridin-2-ylmethyl)acetamide?
The IUPAC name of N-[(4-methoxyphenyl)methyl]-2-(3-oxo-1,4-benzoxazin-4-yl)-N-(pyridin-2-ylmethyl)acetamide (CID 653720) is N-[(4-methoxyphenyl)methyl]-2-(3-oxo-1,4-benzoxazin-4-yl)-N-(pyridin-2-ylmethyl)acetamide.
What is the SMILES notation for N-[(4-methoxyphenyl)methyl]-2-(3-oxo-1,4-benzoxazin-4-yl)-N-(pyridin-2-ylmethyl)acetamide?
The canonical SMILES for N-[(4-methoxyphenyl)methyl]-2-(3-oxo-1,4-benzoxazin-4-yl)-N-(pyridin-2-ylmethyl)acetamide is COc1ccc(CN(Cc2ccccn2)C(=O)CN2C(=O)COc3ccccc32)cc1.
What is the InChIKey of N-[(4-methoxyphenyl)methyl]-2-(3-oxo-1,4-benzoxazin-4-yl)-N-(pyridin-2-ylmethyl)acetamide?
The InChIKey is PDDGMYIRJNWYMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3O4/c1-30-20-11-9-18(10-12-20)14-26(15-19-6-4-5-13-25-19)23(28)16-27-21-7-2-3-8-22(21)31-17-24(27)29/h2-13H,14-17H2,1H3.
What are the key properties of N-[(4-methoxyphenyl)methyl]-2-(3-oxo-1,4-benzoxazin-4-yl)-N-(pyridin-2-ylmethyl)acetamide?
N-[(4-methoxyphenyl)methyl]-2-(3-oxo-1,4-benzoxazin-4-yl)-N-(pyridin-2-ylmethyl)acetamide has a molecular weight of 417.47 g/mol, XLogP of 3.04, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxyphenyl)methyl]-2-(3-oxo-1,4-benzoxazin-4-yl)-N-(pyridin-2-ylmethyl)acetamide is sourced from PubChem (CID 653720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).