N-(3-morpholin-4-ylpropyl)-N'-(2-nitrophenyl)oxamide

C15H20N4O5 — CID 7585342

IUPACN-(3-morpholin-4-ylpropyl)-N'-(2-nitrophenyl)oxamide
SMILESO=C(NCCCN1CCOCC1)C(=O)Nc1ccccc1[N+](=O)[O-]
InChIInChI=1S/C15H20N4O5/c20-14(16-6-3-7-18-8-10-24-11-9-18)15(21)17-12-4-1-2-5-13(12)19(22)23/h1-2,4-5H,3,6-11H2,(H,16,20)(H,17,21)
InChIKeyXULIVBKTIHOQLN-UHFFFAOYSA-N
MW336.35 g/mol
LogP0.37
Rot. Bonds6

About N-(3-morpholin-4-ylpropyl)-N'-(2-nitrophenyl)oxamide

N-(3-morpholin-4-ylpropyl)-N'-(2-nitrophenyl)oxamide (PubChem CID 7585342) has the molecular formula C15H20N4O5 and a molecular weight of 336.35 g/mol. Its IUPAC name is N-(3-morpholin-4-ylpropyl)-N'-(2-nitrophenyl)oxamide.

Molecular Properties

Compound NameN-(3-morpholin-4-ylpropyl)-N'-(2-nitrophenyl)oxamide
PubChem CID7585342
Molecular FormulaC15H20N4O5
Molecular Weight336.35 g/mol
Exact Mass336.14
IUPAC NameN-(3-morpholin-4-ylpropyl)-N'-(2-nitrophenyl)oxamide
SMILESO=C(NCCCN1CCOCC1)C(=O)Nc1ccccc1[N+](=O)[O-]
InChIInChI=1S/C15H20N4O5/c20-14(16-6-3-7-18-8-10-24-11-9-18)15(21)17-12-4-1-2-5-13(12)19(22)23/h1-2,4-5H,3,6-11H2,(H,16,20)(H,17,21)
InChIKeyXULIVBKTIHOQLN-UHFFFAOYSA-N
XLogP0.37
TPSA113.81 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.35
LogP ≤ 50.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N'-(2-chlorophenyl)-N-(3-morpholin-4-ylpropyl)oxamide
CID 2291374
N'-(2-methoxy-5-nitrophenyl)-N-(3-morpholin-4-ylpropyl)oxamide
CID 108518532
N-(3-morpholin-4-ylpropyl)-3-(2-nitrophenyl)prop-2-enamide
CID 78784079
N'-(2,6-dimethylphenyl)-N-(3-morpholin-4-ylpropyl)oxamide
CID 2291523
tert-butyl N-[3-[4-[3-[(2-nitrophenyl)carbamothioylamino]propyl]piperazin-1-yl]propyl]carbamate
CID 87388953
N'-(2-methyl-4-nitrophenyl)-N-(2-morpholin-4-ylethyl)oxamide
CID 18588868
N'-(4-chloro-2-methylphenyl)-N-(3-morpholin-4-ylpropyl)oxamide
CID 108518449
N-(3-morpholin-4-ylpropyl)-2,4-dinitrobenzamide
CID 3111269
4-fluoro-N-(3-morpholin-4-ylpropyl)-2-nitrobenzamide
CID 21240823
N'-(4-carbamoylphenyl)-N-(3-morpholin-4-ylpropyl)oxamide
CID 7584971
N'-(2-chlorophenyl)-N-[3-(4-phenylpiperazin-1-yl)propyl]oxamide
CID 42390241
1-[3-[4-(2-nitrophenyl)piperazin-1-yl]propyl]-3-phenylurea
CID 2967030

Frequently Asked Questions

What is the IUPAC name of N-(3-morpholin-4-ylpropyl)-N'-(2-nitrophenyl)oxamide?
The IUPAC name of N-(3-morpholin-4-ylpropyl)-N'-(2-nitrophenyl)oxamide (CID 7585342) is N-(3-morpholin-4-ylpropyl)-N'-(2-nitrophenyl)oxamide.
What is the SMILES notation for N-(3-morpholin-4-ylpropyl)-N'-(2-nitrophenyl)oxamide?
The canonical SMILES for N-(3-morpholin-4-ylpropyl)-N'-(2-nitrophenyl)oxamide is O=C(NCCCN1CCOCC1)C(=O)Nc1ccccc1[N+](=O)[O-].
What is the InChIKey of N-(3-morpholin-4-ylpropyl)-N'-(2-nitrophenyl)oxamide?
The InChIKey is XULIVBKTIHOQLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O5/c20-14(16-6-3-7-18-8-10-24-11-9-18)15(21)17-12-4-1-2-5-13(12)19(22)23/h1-2,4-5H,3,6-11H2,(H,16,20)(H,17,21).
What are the key properties of N-(3-morpholin-4-ylpropyl)-N'-(2-nitrophenyl)oxamide?
N-(3-morpholin-4-ylpropyl)-N'-(2-nitrophenyl)oxamide has a molecular weight of 336.35 g/mol, XLogP of 0.37, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-morpholin-4-ylpropyl)-N'-(2-nitrophenyl)oxamide is sourced from PubChem (CID 7585342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).