N-(2-hydroxyethyl)-2-(6-oxopyrido[2,3-b][1,4]benzoxazepin-5-yl)acetamide

C16H15N3O4 — CID 71827583

IUPACN-(2-hydroxyethyl)-2-(6-oxopyrido[2,3-b][1,4]benzoxazepin-5-yl)acetamide
SMILESO=C(CN1C(=O)c2ccccc2Oc2ncccc21)NCCO
InChIInChI=1S/C16H15N3O4/c20-9-8-17-14(21)10-19-12-5-3-7-18-15(12)23-13-6-2-1-4-11(13)16(19)22/h1-7,20H,8-10H2,(H,17,21)
InChIKeyCFTUMFRYJOJTSH-UHFFFAOYSA-N
MW313.31 g/mol
LogP0.94
Rot. Bonds4

About N-(2-hydroxyethyl)-2-(6-oxopyrido[2,3-b][1,4]benzoxazepin-5-yl)acetamide

N-(2-hydroxyethyl)-2-(6-oxopyrido[2,3-b][1,4]benzoxazepin-5-yl)acetamide (PubChem CID 71827583) has the molecular formula C16H15N3O4 and a molecular weight of 313.31 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-2-(6-oxopyrido[2,3-b][1,4]benzoxazepin-5-yl)acetamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-2-(6-oxopyrido[2,3-b][1,4]benzoxazepin-5-yl)acetamide
PubChem CID71827583
Molecular FormulaC16H15N3O4
Molecular Weight313.31 g/mol
Exact Mass313.11
IUPAC NameN-(2-hydroxyethyl)-2-(6-oxopyrido[2,3-b][1,4]benzoxazepin-5-yl)acetamide
SMILESO=C(CN1C(=O)c2ccccc2Oc2ncccc21)NCCO
InChIInChI=1S/C16H15N3O4/c20-9-8-17-14(21)10-19-12-5-3-7-18-15(12)23-13-6-2-1-4-11(13)16(19)22/h1-7,20H,8-10H2,(H,17,21)
InChIKeyCFTUMFRYJOJTSH-UHFFFAOYSA-N
XLogP0.94
TPSA91.76 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.31
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-methoxypropyl)-2-(6-oxopyrido[2,3-b][1,4]benzoxazepin-5-yl)acetamide
CID 71827593
N-(2-morpholin-4-ylethyl)-2-(5-oxopyrido[2,3-b][1,5]benzoxazepin-6-yl)acetamide
CID 20908953
N-(2-chlorophenyl)-2-(5-oxopyrido[2,3-b][1,5]benzoxazepin-6-yl)acetamide
CID 20908896
5-but-2-enylpyrido[2,3-b][1,4]benzoxazepin-6-one
CID 54146126
N-[3-(4-cyclohexylpiperazin-1-yl)propyl]-2-(5-oxopyrido[2,3-b][1,5]benzoxazepin-6-yl)acetamide
CID 20908963
N-(2-hydroxyethyl)-2-(2-oxobenzo[cd]indol-1-yl)acetamide
CID 43509846
N-(3-hydroxypropyl)-2-(6-oxopyrido[2,3-b][1,4]benzothiazepin-5-yl)acetamide
CID 75490856
4-(5-oxopyrido[2,3-b][1,5]benzoxazepin-6-yl)-N-(2-thiophen-2-ylethyl)butanamide
CID 20909159
2-(8-methyl-5-oxopyrido[2,3-b][1,5]benzoxazepin-6-yl)-N-(2-methylphenyl)acetamide
CID 20908997
2-(8-chloro-5-oxopyrido[2,3-b][1,5]benzoxazepin-6-yl)-N-propan-2-ylacetamide
CID 20909078
N-(2,4-dimethylphenyl)-2-(8-methyl-5-oxopyrido[2,3-b][1,5]benzoxazepin-6-yl)acetamide
CID 20908998
2-(5-oxopyrido[2,3-b][1,5]benzothiazepin-6-yl)-N-(2-pyrrolidin-1-ylethyl)acetamide
CID 46341041

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-2-(6-oxopyrido[2,3-b][1,4]benzoxazepin-5-yl)acetamide?
The IUPAC name of N-(2-hydroxyethyl)-2-(6-oxopyrido[2,3-b][1,4]benzoxazepin-5-yl)acetamide (CID 71827583) is N-(2-hydroxyethyl)-2-(6-oxopyrido[2,3-b][1,4]benzoxazepin-5-yl)acetamide.
What is the SMILES notation for N-(2-hydroxyethyl)-2-(6-oxopyrido[2,3-b][1,4]benzoxazepin-5-yl)acetamide?
The canonical SMILES for N-(2-hydroxyethyl)-2-(6-oxopyrido[2,3-b][1,4]benzoxazepin-5-yl)acetamide is O=C(CN1C(=O)c2ccccc2Oc2ncccc21)NCCO.
What is the InChIKey of N-(2-hydroxyethyl)-2-(6-oxopyrido[2,3-b][1,4]benzoxazepin-5-yl)acetamide?
The InChIKey is CFTUMFRYJOJTSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O4/c20-9-8-17-14(21)10-19-12-5-3-7-18-15(12)23-13-6-2-1-4-11(13)16(19)22/h1-7,20H,8-10H2,(H,17,21).
What are the key properties of N-(2-hydroxyethyl)-2-(6-oxopyrido[2,3-b][1,4]benzoxazepin-5-yl)acetamide?
N-(2-hydroxyethyl)-2-(6-oxopyrido[2,3-b][1,4]benzoxazepin-5-yl)acetamide has a molecular weight of 313.31 g/mol, XLogP of 0.94, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-2-(6-oxopyrido[2,3-b][1,4]benzoxazepin-5-yl)acetamide is sourced from PubChem (CID 71827583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).