N-(3-methylbutyl)-2-(3-oxo-2-phenylpyrido[3,2-b][1,4]oxazin-4-yl)acetamide

C20H23N3O3 — CID 22553101

IUPACN-(3-methylbutyl)-2-(3-oxo-2-phenylpyrido[3,2-b][1,4]oxazin-4-yl)acetamide
SMILESCC(C)CCNC(=O)CN1C(=O)C(c2ccccc2)Oc2cccnc21
InChIInChI=1S/C20H23N3O3/c1-14(2)10-12-21-17(24)13-23-19-16(9-6-11-22-19)26-18(20(23)25)15-7-4-3-5-8-15/h3-9,11,14,18H,10,12-13H2,1-2H3,(H,21,24)
InChIKeyRMXVZSQAQBSXOM-UHFFFAOYSA-N
MW353.42 g/mol
LogP2.71
Rot. Bonds6

About N-(3-methylbutyl)-2-(3-oxo-2-phenylpyrido[3,2-b][1,4]oxazin-4-yl)acetamide

N-(3-methylbutyl)-2-(3-oxo-2-phenylpyrido[3,2-b][1,4]oxazin-4-yl)acetamide (PubChem CID 22553101) has the molecular formula C20H23N3O3 and a molecular weight of 353.42 g/mol. Its IUPAC name is N-(3-methylbutyl)-2-(3-oxo-2-phenylpyrido[3,2-b][1,4]oxazin-4-yl)acetamide.

Molecular Properties

Compound NameN-(3-methylbutyl)-2-(3-oxo-2-phenylpyrido[3,2-b][1,4]oxazin-4-yl)acetamide
PubChem CID22553101
Molecular FormulaC20H23N3O3
Molecular Weight353.42 g/mol
Exact Mass353.17
IUPAC NameN-(3-methylbutyl)-2-(3-oxo-2-phenylpyrido[3,2-b][1,4]oxazin-4-yl)acetamide
SMILESCC(C)CCNC(=O)CN1C(=O)C(c2ccccc2)Oc2cccnc21
InChIInChI=1S/C20H23N3O3/c1-14(2)10-12-21-17(24)13-23-19-16(9-6-11-22-19)26-18(20(23)25)15-7-4-3-5-8-15/h3-9,11,14,18H,10,12-13H2,1-2H3,(H,21,24)
InChIKeyRMXVZSQAQBSXOM-UHFFFAOYSA-N
XLogP2.71
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.42
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3-methylbutyl)-2-(3-oxo-2-phenylpyrido[3,2-b][1,4]oxazin-4-yl)acetamide?
The IUPAC name of N-(3-methylbutyl)-2-(3-oxo-2-phenylpyrido[3,2-b][1,4]oxazin-4-yl)acetamide (CID 22553101) is N-(3-methylbutyl)-2-(3-oxo-2-phenylpyrido[3,2-b][1,4]oxazin-4-yl)acetamide.
What is the SMILES notation for N-(3-methylbutyl)-2-(3-oxo-2-phenylpyrido[3,2-b][1,4]oxazin-4-yl)acetamide?
The canonical SMILES for N-(3-methylbutyl)-2-(3-oxo-2-phenylpyrido[3,2-b][1,4]oxazin-4-yl)acetamide is CC(C)CCNC(=O)CN1C(=O)C(c2ccccc2)Oc2cccnc21.
What is the InChIKey of N-(3-methylbutyl)-2-(3-oxo-2-phenylpyrido[3,2-b][1,4]oxazin-4-yl)acetamide?
The InChIKey is RMXVZSQAQBSXOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O3/c1-14(2)10-12-21-17(24)13-23-19-16(9-6-11-22-19)26-18(20(23)25)15-7-4-3-5-8-15/h3-9,11,14,18H,10,12-13H2,1-2H3,(H,21,24).
What are the key properties of N-(3-methylbutyl)-2-(3-oxo-2-phenylpyrido[3,2-b][1,4]oxazin-4-yl)acetamide?
N-(3-methylbutyl)-2-(3-oxo-2-phenylpyrido[3,2-b][1,4]oxazin-4-yl)acetamide has a molecular weight of 353.42 g/mol, XLogP of 2.71, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylbutyl)-2-(3-oxo-2-phenylpyrido[3,2-b][1,4]oxazin-4-yl)acetamide is sourced from PubChem (CID 22553101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).