N-(2-morpholin-4-ium-4-ylethyl)-2-(3-oxo-1,4-benzoxazin-4-yl)acetamide

C16H22N3O4+ — CID 3690149

IUPACN-(2-morpholin-4-ium-4-ylethyl)-2-(3-oxo-1,4-benzoxazin-4-yl)acetamide
SMILESO=C(CN1C(=O)COc2ccccc21)NCC[NH+]1CCOCC1
InChIInChI=1S/C16H21N3O4/c20-15(17-5-6-18-7-9-22-10-8-18)11-19-13-3-1-2-4-14(13)23-12-16(19)21/h1-4H,5-12H2,(H,17,20)/p+1
InChIKeyBMJMTCMBNOCFSH-UHFFFAOYSA-O
MW320.37 g/mol
LogP-1.56
Rot. Bonds5

About N-(2-morpholin-4-ium-4-ylethyl)-2-(3-oxo-1,4-benzoxazin-4-yl)acetamide

N-(2-morpholin-4-ium-4-ylethyl)-2-(3-oxo-1,4-benzoxazin-4-yl)acetamide (PubChem CID 3690149) has the molecular formula C16H22N3O4+ and a molecular weight of 320.37 g/mol. Its IUPAC name is N-(2-morpholin-4-ium-4-ylethyl)-2-(3-oxo-1,4-benzoxazin-4-yl)acetamide.

Molecular Properties

Compound NameN-(2-morpholin-4-ium-4-ylethyl)-2-(3-oxo-1,4-benzoxazin-4-yl)acetamide
PubChem CID3690149
Molecular FormulaC16H22N3O4+
Molecular Weight320.37 g/mol
Exact Mass320.16
IUPAC NameN-(2-morpholin-4-ium-4-ylethyl)-2-(3-oxo-1,4-benzoxazin-4-yl)acetamide
SMILESO=C(CN1C(=O)COc2ccccc21)NCC[NH+]1CCOCC1
InChIInChI=1S/C16H21N3O4/c20-15(17-5-6-18-7-9-22-10-8-18)11-19-13-3-1-2-4-14(13)23-12-16(19)21/h1-4H,5-12H2,(H,17,20)/p+1
InChIKeyBMJMTCMBNOCFSH-UHFFFAOYSA-O
XLogP-1.56
TPSA72.31 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.37
LogP ≤ 5-1.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]ethyl]-2-(3-oxo-1,4-benzoxazin-4-yl)acetamide
CID 3707504
N-[2-(azepan-1-ium-1-yl)ethyl]-3-(3-oxo-1,4-benzoxazin-4-yl)propanamide
CID 3551660
N-[2-(azepan-1-ium-1-yl)ethyl]-2-(6-methyl-3-oxo-1,4-benzoxazin-4-yl)acetamide
CID 3600725
2-[2-[(3-bromophenyl)methylidene]-3-oxo-1,4-benzoxazin-4-yl]-N-(2-morpholin-4-ium-4-ylethyl)acetamide
CID 4070216
N-(2-imidazol-1-ylethyl)-2-(3-oxo-1,4-benzoxazin-4-yl)acetamide
CID 51072501
2-(1,3-dioxobenzo[de]isoquinolin-2-yl)-N-(2-morpholin-4-ium-4-ylethyl)acetamide
CID 7090688
N-(2-morpholin-4-ylethyl)-3-(3-oxo-1,4-benzoxazin-4-yl)propanamide
CID 3240979
4-morpholin-4-yl-4-oxo-N'-[2-(3-oxo-1,4-benzoxazin-4-yl)acetyl]butanehydrazide
CID 9237466
2-[4-[2-[[2-(3-oxo-1,4-benzoxazin-4-yl)acetyl]amino]ethyl]phenoxy]acetic acid
CID 119255406
(3R)-N-(2-morpholin-4-ium-4-ylethyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 7242232
benzyl-butyl-[3-[[2-(3-oxo-1,4-benzoxazin-4-yl)acetyl]amino]propyl]azanium
CID 3324481
N-[3-(azepan-1-ium-1-yl)propyl]-2-(6-tert-butyl-3-oxo-1,4-benzoxazin-4-yl)acetamide
CID 3660975

Frequently Asked Questions

What is the IUPAC name of N-(2-morpholin-4-ium-4-ylethyl)-2-(3-oxo-1,4-benzoxazin-4-yl)acetamide?
The IUPAC name of N-(2-morpholin-4-ium-4-ylethyl)-2-(3-oxo-1,4-benzoxazin-4-yl)acetamide (CID 3690149) is N-(2-morpholin-4-ium-4-ylethyl)-2-(3-oxo-1,4-benzoxazin-4-yl)acetamide.
What is the SMILES notation for N-(2-morpholin-4-ium-4-ylethyl)-2-(3-oxo-1,4-benzoxazin-4-yl)acetamide?
The canonical SMILES for N-(2-morpholin-4-ium-4-ylethyl)-2-(3-oxo-1,4-benzoxazin-4-yl)acetamide is O=C(CN1C(=O)COc2ccccc21)NCC[NH+]1CCOCC1.
What is the InChIKey of N-(2-morpholin-4-ium-4-ylethyl)-2-(3-oxo-1,4-benzoxazin-4-yl)acetamide?
The InChIKey is BMJMTCMBNOCFSH-UHFFFAOYSA-O. The full InChI is InChI=1S/C16H21N3O4/c20-15(17-5-6-18-7-9-22-10-8-18)11-19-13-3-1-2-4-14(13)23-12-16(19)21/h1-4H,5-12H2,(H,17,20)/p+1.
What are the key properties of N-(2-morpholin-4-ium-4-ylethyl)-2-(3-oxo-1,4-benzoxazin-4-yl)acetamide?
N-(2-morpholin-4-ium-4-ylethyl)-2-(3-oxo-1,4-benzoxazin-4-yl)acetamide has a molecular weight of 320.37 g/mol, XLogP of -1.56, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-morpholin-4-ium-4-ylethyl)-2-(3-oxo-1,4-benzoxazin-4-yl)acetamide is sourced from PubChem (CID 3690149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).