N-(3-morpholin-4-ylpropyl)-2-(3-oxo-4H-1,4-benzoxazin-2-yl)acetamide

C17H23N3O4 — CID 5307904

IUPACN-(3-morpholin-4-ylpropyl)-2-(3-oxo-4H-1,4-benzoxazin-2-yl)acetamide
SMILESO=C(CC1Oc2ccccc2NC1=O)NCCCN1CCOCC1
InChIInChI=1S/C17H23N3O4/c21-16(18-6-3-7-20-8-10-23-11-9-20)12-15-17(22)19-13-4-1-2-5-14(13)24-15/h1-2,4-5,15H,3,6-12H2,(H,18,21)(H,19,22)
InChIKeyBBASNBUMLFTQBS-UHFFFAOYSA-N
MW333.39 g/mol
LogP0.61
Rot. Bonds6

About N-(3-morpholin-4-ylpropyl)-2-(3-oxo-4H-1,4-benzoxazin-2-yl)acetamide

N-(3-morpholin-4-ylpropyl)-2-(3-oxo-4H-1,4-benzoxazin-2-yl)acetamide (PubChem CID 5307904) has the molecular formula C17H23N3O4 and a molecular weight of 333.39 g/mol. Its IUPAC name is N-(3-morpholin-4-ylpropyl)-2-(3-oxo-4H-1,4-benzoxazin-2-yl)acetamide.

Molecular Properties

Compound NameN-(3-morpholin-4-ylpropyl)-2-(3-oxo-4H-1,4-benzoxazin-2-yl)acetamide
PubChem CID5307904
Molecular FormulaC17H23N3O4
Molecular Weight333.39 g/mol
Exact Mass333.17
IUPAC NameN-(3-morpholin-4-ylpropyl)-2-(3-oxo-4H-1,4-benzoxazin-2-yl)acetamide
SMILESO=C(CC1Oc2ccccc2NC1=O)NCCCN1CCOCC1
InChIInChI=1S/C17H23N3O4/c21-16(18-6-3-7-20-8-10-23-11-9-20)12-15-17(22)19-13-4-1-2-5-14(13)24-15/h1-2,4-5,15H,3,6-12H2,(H,18,21)(H,19,22)
InChIKeyBBASNBUMLFTQBS-UHFFFAOYSA-N
XLogP0.61
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 50.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(3-morpholin-4-ylpropyl)-2-(3-oxo-4H-1,4-benzoxazin-2-yl)acetamide?
The IUPAC name of N-(3-morpholin-4-ylpropyl)-2-(3-oxo-4H-1,4-benzoxazin-2-yl)acetamide (CID 5307904) is N-(3-morpholin-4-ylpropyl)-2-(3-oxo-4H-1,4-benzoxazin-2-yl)acetamide.
What is the SMILES notation for N-(3-morpholin-4-ylpropyl)-2-(3-oxo-4H-1,4-benzoxazin-2-yl)acetamide?
The canonical SMILES for N-(3-morpholin-4-ylpropyl)-2-(3-oxo-4H-1,4-benzoxazin-2-yl)acetamide is O=C(CC1Oc2ccccc2NC1=O)NCCCN1CCOCC1.
What is the InChIKey of N-(3-morpholin-4-ylpropyl)-2-(3-oxo-4H-1,4-benzoxazin-2-yl)acetamide?
The InChIKey is BBASNBUMLFTQBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O4/c21-16(18-6-3-7-20-8-10-23-11-9-20)12-15-17(22)19-13-4-1-2-5-14(13)24-15/h1-2,4-5,15H,3,6-12H2,(H,18,21)(H,19,22).
What are the key properties of N-(3-morpholin-4-ylpropyl)-2-(3-oxo-4H-1,4-benzoxazin-2-yl)acetamide?
N-(3-morpholin-4-ylpropyl)-2-(3-oxo-4H-1,4-benzoxazin-2-yl)acetamide has a molecular weight of 333.39 g/mol, XLogP of 0.61, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-morpholin-4-ylpropyl)-2-(3-oxo-4H-1,4-benzoxazin-2-yl)acetamide is sourced from PubChem (CID 5307904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).