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

C23H30N4O3 — CID 22553114

IUPACN-[2-[butyl(ethyl)amino]ethyl]-2-(3-oxo-2-phenylpyrido[3,2-b][1,4]oxazin-4-yl)acetamide
SMILESCCCCN(CC)CCNC(=O)CN1C(=O)C(c2ccccc2)Oc2cccnc21
InChIInChI=1S/C23H30N4O3/c1-3-5-15-26(4-2)16-14-24-20(28)17-27-22-19(12-9-13-25-22)30-21(23(27)29)18-10-7-6-8-11-18/h6-13,21H,3-5,14-17H2,1-2H3,(H,24,28)
InChIKeyNRCFSUZLGYYPQA-UHFFFAOYSA-N
MW410.52 g/mol
LogP2.79
Rot. Bonds10

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

N-[2-[butyl(ethyl)amino]ethyl]-2-(3-oxo-2-phenylpyrido[3,2-b][1,4]oxazin-4-yl)acetamide (PubChem CID 22553114) has the molecular formula C23H30N4O3 and a molecular weight of 410.52 g/mol. Its IUPAC name is N-[2-[butyl(ethyl)amino]ethyl]-2-(3-oxo-2-phenylpyrido[3,2-b][1,4]oxazin-4-yl)acetamide.

Molecular Properties

Compound NameN-[2-[butyl(ethyl)amino]ethyl]-2-(3-oxo-2-phenylpyrido[3,2-b][1,4]oxazin-4-yl)acetamide
PubChem CID22553114
Molecular FormulaC23H30N4O3
Molecular Weight410.52 g/mol
Exact Mass410.23
IUPAC NameN-[2-[butyl(ethyl)amino]ethyl]-2-(3-oxo-2-phenylpyrido[3,2-b][1,4]oxazin-4-yl)acetamide
SMILESCCCCN(CC)CCNC(=O)CN1C(=O)C(c2ccccc2)Oc2cccnc21
InChIInChI=1S/C23H30N4O3/c1-3-5-15-26(4-2)16-14-24-20(28)17-27-22-19(12-9-13-25-22)30-21(23(27)29)18-10-7-6-8-11-18/h6-13,21H,3-5,14-17H2,1-2H3,(H,24,28)
InChIKeyNRCFSUZLGYYPQA-UHFFFAOYSA-N
XLogP2.79
TPSA74.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.52
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-[butyl(ethyl)amino]ethyl]-2-(3-oxo-2-phenylpyrido[3,2-b][1,4]oxazin-4-yl)acetamide?
The IUPAC name of N-[2-[butyl(ethyl)amino]ethyl]-2-(3-oxo-2-phenylpyrido[3,2-b][1,4]oxazin-4-yl)acetamide (CID 22553114) is N-[2-[butyl(ethyl)amino]ethyl]-2-(3-oxo-2-phenylpyrido[3,2-b][1,4]oxazin-4-yl)acetamide.
What is the SMILES notation for N-[2-[butyl(ethyl)amino]ethyl]-2-(3-oxo-2-phenylpyrido[3,2-b][1,4]oxazin-4-yl)acetamide?
The canonical SMILES for N-[2-[butyl(ethyl)amino]ethyl]-2-(3-oxo-2-phenylpyrido[3,2-b][1,4]oxazin-4-yl)acetamide is CCCCN(CC)CCNC(=O)CN1C(=O)C(c2ccccc2)Oc2cccnc21.
What is the InChIKey of N-[2-[butyl(ethyl)amino]ethyl]-2-(3-oxo-2-phenylpyrido[3,2-b][1,4]oxazin-4-yl)acetamide?
The InChIKey is NRCFSUZLGYYPQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N4O3/c1-3-5-15-26(4-2)16-14-24-20(28)17-27-22-19(12-9-13-25-22)30-21(23(27)29)18-10-7-6-8-11-18/h6-13,21H,3-5,14-17H2,1-2H3,(H,24,28).
What are the key properties of N-[2-[butyl(ethyl)amino]ethyl]-2-(3-oxo-2-phenylpyrido[3,2-b][1,4]oxazin-4-yl)acetamide?
N-[2-[butyl(ethyl)amino]ethyl]-2-(3-oxo-2-phenylpyrido[3,2-b][1,4]oxazin-4-yl)acetamide has a molecular weight of 410.52 g/mol, XLogP of 2.79, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[butyl(ethyl)amino]ethyl]-2-(3-oxo-2-phenylpyrido[3,2-b][1,4]oxazin-4-yl)acetamide is sourced from PubChem (CID 22553114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).