2-morpholin-4-ium-4-ylidene-6-oxo-N-phenyl-1,3-diazinane-4-carboxamide

C15H19N4O3+ — CID 3505690

IUPAC2-morpholin-4-ium-4-ylidene-6-oxo-N-phenyl-1,3-diazinane-4-carboxamide
SMILESO=C1CC(C(=O)Nc2ccccc2)NC(=[N+]2CCOCC2)N1
InChIInChI=1S/C15H18N4O3/c20-13-10-12(14(21)16-11-4-2-1-3-5-11)17-15(18-13)19-6-8-22-9-7-19/h1-5,12H,6-10H2,(H2,16,17,18,20,21)/p+1
InChIKeyDQUMAOWQILUOEV-UHFFFAOYSA-O
MW303.34 g/mol
LogP-0.50
Rot. Bonds2

About 2-morpholin-4-ium-4-ylidene-6-oxo-N-phenyl-1,3-diazinane-4-carboxamide

2-morpholin-4-ium-4-ylidene-6-oxo-N-phenyl-1,3-diazinane-4-carboxamide (PubChem CID 3505690) has the molecular formula C15H19N4O3+ and a molecular weight of 303.34 g/mol. Its IUPAC name is 2-morpholin-4-ium-4-ylidene-6-oxo-N-phenyl-1,3-diazinane-4-carboxamide.

Molecular Properties

Compound Name2-morpholin-4-ium-4-ylidene-6-oxo-N-phenyl-1,3-diazinane-4-carboxamide
PubChem CID3505690
Molecular FormulaC15H19N4O3+
Molecular Weight303.34 g/mol
Exact Mass303.15
IUPAC Name2-morpholin-4-ium-4-ylidene-6-oxo-N-phenyl-1,3-diazinane-4-carboxamide
SMILESO=C1CC(C(=O)Nc2ccccc2)NC(=[N+]2CCOCC2)N1
InChIInChI=1S/C15H18N4O3/c20-13-10-12(14(21)16-11-4-2-1-3-5-11)17-15(18-13)19-6-8-22-9-7-19/h1-5,12H,6-10H2,(H2,16,17,18,20,21)/p+1
InChIKeyDQUMAOWQILUOEV-UHFFFAOYSA-O
XLogP-0.50
TPSA82.47 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.34
LogP ≤ 5-0.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

(4S)-N-(4-chlorophenyl)-2-(2,3-dihydroindol-1-ium-1-ylidene)-6-oxo-1,3-diazinane-4-carboxamide
CID 7328242
N-(4-ethylphenyl)-2,6-dioxo-1,3-diazinane-4-carboxamide
CID 167013292
(4S)-2,6-dioxo-N-[4-(sulfanylmethyl)phenyl]-1,3-diazinane-4-carboxamide
CID 163758060
6-oxo-N-phenyldiazinane-3-carboxamide
CID 78211041
(3S)-5-oxo-N-phenyl-1,4-thiazepane-3-carboxamide
CID 100816227
2-oxo-N-phenyl-3,4-dihydro-1H-quinoline-4-carboxamide
CID 17493174
4-(morpholine-4-carbonyl)-N-phenylcyclohexane-1-carboxamide
CID 109146802
N-(4-morpholin-4-ylphenyl)-6-oxodiazinane-3-carboxamide
CID 73251784
1-(2,5-dioxopyrrolidin-3-yl)-3-phenylurea
CID 110462621
(2S)-4-oxo-N-(3-oxo-4H-1,4-benzoxazin-6-yl)azetidine-2-carboxamide
CID 59802652
N-[4-(cyclopropanecarbonylamino)phenyl]oxane-4-carboxamide
CID 30179617
(4R)-2-morpholin-4-yl-6-oxo-N-(4-phenoxyphenyl)-4,5-dihydro-1H-pyrimidine-4-carboxamide
CID 40975980

Frequently Asked Questions

What is the IUPAC name of 2-morpholin-4-ium-4-ylidene-6-oxo-N-phenyl-1,3-diazinane-4-carboxamide?
The IUPAC name of 2-morpholin-4-ium-4-ylidene-6-oxo-N-phenyl-1,3-diazinane-4-carboxamide (CID 3505690) is 2-morpholin-4-ium-4-ylidene-6-oxo-N-phenyl-1,3-diazinane-4-carboxamide.
What is the SMILES notation for 2-morpholin-4-ium-4-ylidene-6-oxo-N-phenyl-1,3-diazinane-4-carboxamide?
The canonical SMILES for 2-morpholin-4-ium-4-ylidene-6-oxo-N-phenyl-1,3-diazinane-4-carboxamide is O=C1CC(C(=O)Nc2ccccc2)NC(=[N+]2CCOCC2)N1.
What is the InChIKey of 2-morpholin-4-ium-4-ylidene-6-oxo-N-phenyl-1,3-diazinane-4-carboxamide?
The InChIKey is DQUMAOWQILUOEV-UHFFFAOYSA-O. The full InChI is InChI=1S/C15H18N4O3/c20-13-10-12(14(21)16-11-4-2-1-3-5-11)17-15(18-13)19-6-8-22-9-7-19/h1-5,12H,6-10H2,(H2,16,17,18,20,21)/p+1.
What are the key properties of 2-morpholin-4-ium-4-ylidene-6-oxo-N-phenyl-1,3-diazinane-4-carboxamide?
2-morpholin-4-ium-4-ylidene-6-oxo-N-phenyl-1,3-diazinane-4-carboxamide has a molecular weight of 303.34 g/mol, XLogP of -0.50, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-morpholin-4-ium-4-ylidene-6-oxo-N-phenyl-1,3-diazinane-4-carboxamide is sourced from PubChem (CID 3505690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).