4-(3-oxo-2-phenylpyrido[3,2-b][1,4]oxazin-4-yl)-N-(3-propan-2-yloxypropyl)butanamide

C23H29N3O4 — CID 22553193

IUPAC4-(3-oxo-2-phenylpyrido[3,2-b][1,4]oxazin-4-yl)-N-(3-propan-2-yloxypropyl)butanamide
SMILESCC(C)OCCCNC(=O)CCCN1C(=O)C(c2ccccc2)Oc2cccnc21
InChIInChI=1S/C23H29N3O4/c1-17(2)29-16-8-14-24-20(27)12-7-15-26-22-19(11-6-13-25-22)30-21(23(26)28)18-9-4-3-5-10-18/h3-6,9-11,13,17,21H,7-8,12,14-16H2,1-2H3,(H,24,27)
InChIKeyNDZTXEFPRFAKGJ-UHFFFAOYSA-N
MW411.50 g/mol
LogP3.26
Rot. Bonds10

About 4-(3-oxo-2-phenylpyrido[3,2-b][1,4]oxazin-4-yl)-N-(3-propan-2-yloxypropyl)butanamide

4-(3-oxo-2-phenylpyrido[3,2-b][1,4]oxazin-4-yl)-N-(3-propan-2-yloxypropyl)butanamide (PubChem CID 22553193) has the molecular formula C23H29N3O4 and a molecular weight of 411.50 g/mol. Its IUPAC name is 4-(3-oxo-2-phenylpyrido[3,2-b][1,4]oxazin-4-yl)-N-(3-propan-2-yloxypropyl)butanamide.

Molecular Properties

Compound Name4-(3-oxo-2-phenylpyrido[3,2-b][1,4]oxazin-4-yl)-N-(3-propan-2-yloxypropyl)butanamide
PubChem CID22553193
Molecular FormulaC23H29N3O4
Molecular Weight411.50 g/mol
Exact Mass411.22
IUPAC Name4-(3-oxo-2-phenylpyrido[3,2-b][1,4]oxazin-4-yl)-N-(3-propan-2-yloxypropyl)butanamide
SMILESCC(C)OCCCNC(=O)CCCN1C(=O)C(c2ccccc2)Oc2cccnc21
InChIInChI=1S/C23H29N3O4/c1-17(2)29-16-8-14-24-20(27)12-7-15-26-22-19(11-6-13-25-22)30-21(23(26)28)18-9-4-3-5-10-18/h3-6,9-11,13,17,21H,7-8,12,14-16H2,1-2H3,(H,24,27)
InChIKeyNDZTXEFPRFAKGJ-UHFFFAOYSA-N
XLogP3.26
TPSA80.76 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.50
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-[(2S)-3-oxo-2-phenylpyrido[3,2-b][1,4]oxazin-4-yl]-N-[3-(4-propylpiperazin-1-yl)propyl]butanamide
CID 92764981
4-(3-oxo-2-phenylpyrido[3,2-b][1,4]oxazin-4-yl)-N-[3-(4-propylpiperazin-1-yl)propyl]butanamide
CID 22553205
N-[(2-ethoxyphenyl)methyl]-4-(3-oxo-2-phenylpyrido[3,2-b][1,4]oxazin-4-yl)butanamide
CID 22553214
N-(3,4-dimethylphenyl)-4-(3-oxo-2-phenylpyrido[3,2-b][1,4]oxazin-4-yl)butanamide
CID 22553172
N-(3-methylbutyl)-2-(3-oxo-2-phenylpyrido[3,2-b][1,4]oxazin-4-yl)acetamide
CID 22553101
2-(3-oxo-2-phenylpyrido[3,2-b][1,4]oxazin-4-yl)-N-propylacetamide
CID 126457874
N-(4-bromo-3-methylphenyl)-4-(3-oxo-2-phenylpyrido[3,2-b][1,4]oxazin-4-yl)butanamide
CID 22553180
2-(3-oxo-2-phenylpyrido[3,2-b][1,4]oxazin-4-yl)-N-(1-phenylethyl)acetamide
CID 126458716
N-[2-[butyl(ethyl)amino]ethyl]-2-(3-oxo-2-phenylpyrido[3,2-b][1,4]oxazin-4-yl)acetamide
CID 22553114
N-[2-(azepan-1-yl)ethyl]-2-(3-oxo-2-phenylpyrido[3,2-b][1,4]oxazin-4-yl)acetamide
CID 22553113
4-(2-oxopyrido[2,3-b][1,4]thiazin-1-yl)-N-(3-propan-2-yloxypropyl)butanamide
CID 46261547
N-(1,3-benzodioxol-5-ylmethyl)-2-(3-oxo-2-phenylpyrido[3,2-b][1,4]oxazin-4-yl)acetamide
CID 22553096

Frequently Asked Questions

What is the IUPAC name of 4-(3-oxo-2-phenylpyrido[3,2-b][1,4]oxazin-4-yl)-N-(3-propan-2-yloxypropyl)butanamide?
The IUPAC name of 4-(3-oxo-2-phenylpyrido[3,2-b][1,4]oxazin-4-yl)-N-(3-propan-2-yloxypropyl)butanamide (CID 22553193) is 4-(3-oxo-2-phenylpyrido[3,2-b][1,4]oxazin-4-yl)-N-(3-propan-2-yloxypropyl)butanamide.
What is the SMILES notation for 4-(3-oxo-2-phenylpyrido[3,2-b][1,4]oxazin-4-yl)-N-(3-propan-2-yloxypropyl)butanamide?
The canonical SMILES for 4-(3-oxo-2-phenylpyrido[3,2-b][1,4]oxazin-4-yl)-N-(3-propan-2-yloxypropyl)butanamide is CC(C)OCCCNC(=O)CCCN1C(=O)C(c2ccccc2)Oc2cccnc21.
What is the InChIKey of 4-(3-oxo-2-phenylpyrido[3,2-b][1,4]oxazin-4-yl)-N-(3-propan-2-yloxypropyl)butanamide?
The InChIKey is NDZTXEFPRFAKGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O4/c1-17(2)29-16-8-14-24-20(27)12-7-15-26-22-19(11-6-13-25-22)30-21(23(26)28)18-9-4-3-5-10-18/h3-6,9-11,13,17,21H,7-8,12,14-16H2,1-2H3,(H,24,27).
What are the key properties of 4-(3-oxo-2-phenylpyrido[3,2-b][1,4]oxazin-4-yl)-N-(3-propan-2-yloxypropyl)butanamide?
4-(3-oxo-2-phenylpyrido[3,2-b][1,4]oxazin-4-yl)-N-(3-propan-2-yloxypropyl)butanamide has a molecular weight of 411.50 g/mol, XLogP of 3.26, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-oxo-2-phenylpyrido[3,2-b][1,4]oxazin-4-yl)-N-(3-propan-2-yloxypropyl)butanamide is sourced from PubChem (CID 22553193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).