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

C24H23N3O3 — CID 652735

IUPACN-benzyl-2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-(pyridin-2-ylmethyl)acetamide
SMILESCC1Oc2ccccc2N(CC(=O)N(Cc2ccccc2)Cc2ccccn2)C1=O
InChIInChI=1S/C24H23N3O3/c1-18-24(29)27(21-12-5-6-13-22(21)30-18)17-23(28)26(15-19-9-3-2-4-10-19)16-20-11-7-8-14-25-20/h2-14,18H,15-17H2,1H3
InChIKeyHKCIEYIYZFKDLL-UHFFFAOYSA-N
MW401.47 g/mol
LogP3.42
Rot. Bonds6

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

N-benzyl-2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-(pyridin-2-ylmethyl)acetamide (PubChem CID 652735) has the molecular formula C24H23N3O3 and a molecular weight of 401.47 g/mol. Its IUPAC name is N-benzyl-2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-(pyridin-2-ylmethyl)acetamide.

Molecular Properties

Compound NameN-benzyl-2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-(pyridin-2-ylmethyl)acetamide
PubChem CID652735
Molecular FormulaC24H23N3O3
Molecular Weight401.47 g/mol
Exact Mass401.17
IUPAC NameN-benzyl-2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-(pyridin-2-ylmethyl)acetamide
SMILESCC1Oc2ccccc2N(CC(=O)N(Cc2ccccc2)Cc2ccccn2)C1=O
InChIInChI=1S/C24H23N3O3/c1-18-24(29)27(21-12-5-6-13-22(21)30-18)17-23(28)26(15-19-9-3-2-4-10-19)16-20-11-7-8-14-25-20/h2-14,18H,15-17H2,1H3
InChIKeyHKCIEYIYZFKDLL-UHFFFAOYSA-N
XLogP3.42
TPSA62.74 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.47
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-(pyridin-2-ylmethyl)acetamide?
The IUPAC name of N-benzyl-2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-(pyridin-2-ylmethyl)acetamide (CID 652735) is N-benzyl-2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-(pyridin-2-ylmethyl)acetamide.
What is the SMILES notation for N-benzyl-2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-(pyridin-2-ylmethyl)acetamide?
The canonical SMILES for N-benzyl-2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-(pyridin-2-ylmethyl)acetamide is CC1Oc2ccccc2N(CC(=O)N(Cc2ccccc2)Cc2ccccn2)C1=O.
What is the InChIKey of N-benzyl-2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-(pyridin-2-ylmethyl)acetamide?
The InChIKey is HKCIEYIYZFKDLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3O3/c1-18-24(29)27(21-12-5-6-13-22(21)30-18)17-23(28)26(15-19-9-3-2-4-10-19)16-20-11-7-8-14-25-20/h2-14,18H,15-17H2,1H3.
What are the key properties of N-benzyl-2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-(pyridin-2-ylmethyl)acetamide?
N-benzyl-2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-(pyridin-2-ylmethyl)acetamide has a molecular weight of 401.47 g/mol, XLogP of 3.42, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-(pyridin-2-ylmethyl)acetamide is sourced from PubChem (CID 652735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).