N'-(2-methyl-4-nitrophenyl)-N-(2-morpholin-4-ylethyl)oxamide

C15H20N4O5 — CID 18588868

IUPACN'-(2-methyl-4-nitrophenyl)-N-(2-morpholin-4-ylethyl)oxamide
SMILESCc1cc([N+](=O)[O-])ccc1NC(=O)C(=O)NCCN1CCOCC1
InChIInChI=1S/C15H20N4O5/c1-11-10-12(19(22)23)2-3-13(11)17-15(21)14(20)16-4-5-18-6-8-24-9-7-18/h2-3,10H,4-9H2,1H3,(H,16,20)(H,17,21)
InChIKeyNSEKWLGUWQVTFF-UHFFFAOYSA-N
MW336.35 g/mol
LogP0.29
Rot. Bonds5

About N'-(2-methyl-4-nitrophenyl)-N-(2-morpholin-4-ylethyl)oxamide

N'-(2-methyl-4-nitrophenyl)-N-(2-morpholin-4-ylethyl)oxamide (PubChem CID 18588868) has the molecular formula C15H20N4O5 and a molecular weight of 336.35 g/mol. Its IUPAC name is N'-(2-methyl-4-nitrophenyl)-N-(2-morpholin-4-ylethyl)oxamide.

Molecular Properties

Compound NameN'-(2-methyl-4-nitrophenyl)-N-(2-morpholin-4-ylethyl)oxamide
PubChem CID18588868
Molecular FormulaC15H20N4O5
Molecular Weight336.35 g/mol
Exact Mass336.14
IUPAC NameN'-(2-methyl-4-nitrophenyl)-N-(2-morpholin-4-ylethyl)oxamide
SMILESCc1cc([N+](=O)[O-])ccc1NC(=O)C(=O)NCCN1CCOCC1
InChIInChI=1S/C15H20N4O5/c1-11-10-12(19(22)23)2-3-13(11)17-15(21)14(20)16-4-5-18-6-8-24-9-7-18/h2-3,10H,4-9H2,1H3,(H,16,20)(H,17,21)
InChIKeyNSEKWLGUWQVTFF-UHFFFAOYSA-N
XLogP0.29
TPSA113.81 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.35
LogP ≤ 50.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'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

1-(2-methyl-5-nitrophenyl)-3-(2-morpholin-4-ylethyl)thiourea
CID 8620220
N'-(2-methoxy-5-nitrophenyl)-N-(3-morpholin-4-ylpropyl)oxamide
CID 108518532
N'-(4-chloro-2-methylphenyl)-N-(3-morpholin-4-ylpropyl)oxamide
CID 108518449
N-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]-N'-(2-methyl-4-nitrophenyl)oxamide
CID 42390086
N'-(2-methyl-4-nitrophenyl)-N-[3-(4-pyrrolidin-1-ylphenyl)propyl]oxamide
CID 16892131
N'-(2-methyl-5-nitrophenyl)-N-[2-(4-thiophen-2-ylpiperidin-1-yl)ethyl]oxamide
CID 90522852
N-(3-morpholin-4-ylpropyl)-N'-(2-nitrophenyl)oxamide
CID 7585342
methyl-[2-(2-methyl-4-nitroanilino)-2-oxoethyl]-(2-morpholin-4-yl-2-oxoethyl)azanium
CID 8711560
2-(4-methylpiperidin-1-yl)-N-(2-morpholin-4-ylethyl)-5-nitrobenzamide
CID 26244501
2-(2-methyl-4-nitroanilino)-1-morpholin-4-ylpropan-1-one
CID 115571728
N'-(2-ethyl-6-methylphenyl)-N-(2-morpholin-4-ylethyl)oxamide
CID 44997846
1-(4-iodo-2-methylphenyl)-3-(2-morpholin-4-ylethyl)thiourea
CID 23964682

Frequently Asked Questions

What is the IUPAC name of N'-(2-methyl-4-nitrophenyl)-N-(2-morpholin-4-ylethyl)oxamide?
The IUPAC name of N'-(2-methyl-4-nitrophenyl)-N-(2-morpholin-4-ylethyl)oxamide (CID 18588868) is N'-(2-methyl-4-nitrophenyl)-N-(2-morpholin-4-ylethyl)oxamide.
What is the SMILES notation for N'-(2-methyl-4-nitrophenyl)-N-(2-morpholin-4-ylethyl)oxamide?
The canonical SMILES for N'-(2-methyl-4-nitrophenyl)-N-(2-morpholin-4-ylethyl)oxamide is Cc1cc([N+](=O)[O-])ccc1NC(=O)C(=O)NCCN1CCOCC1.
What is the InChIKey of N'-(2-methyl-4-nitrophenyl)-N-(2-morpholin-4-ylethyl)oxamide?
The InChIKey is NSEKWLGUWQVTFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O5/c1-11-10-12(19(22)23)2-3-13(11)17-15(21)14(20)16-4-5-18-6-8-24-9-7-18/h2-3,10H,4-9H2,1H3,(H,16,20)(H,17,21).
What are the key properties of N'-(2-methyl-4-nitrophenyl)-N-(2-morpholin-4-ylethyl)oxamide?
N'-(2-methyl-4-nitrophenyl)-N-(2-morpholin-4-ylethyl)oxamide has a molecular weight of 336.35 g/mol, XLogP of 0.29, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-methyl-4-nitrophenyl)-N-(2-morpholin-4-ylethyl)oxamide is sourced from PubChem (CID 18588868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).