N'-(2-methoxy-5-nitrophenyl)-N-(3-morpholin-4-ylpropyl)oxamide

C16H22N4O6 — CID 108518532

IUPACN'-(2-methoxy-5-nitrophenyl)-N-(3-morpholin-4-ylpropyl)oxamide
SMILESCOc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NCCCN1CCOCC1
InChIInChI=1S/C16H22N4O6/c1-25-14-4-3-12(20(23)24)11-13(14)18-16(22)15(21)17-5-2-6-19-7-9-26-10-8-19/h3-4,11H,2,5-10H2,1H3,(H,17,21)(H,18,22)
InChIKeyIPULCTNTASACJI-UHFFFAOYSA-N
MW366.37 g/mol
LogP0.38
Rot. Bonds7

About N'-(2-methoxy-5-nitrophenyl)-N-(3-morpholin-4-ylpropyl)oxamide

N'-(2-methoxy-5-nitrophenyl)-N-(3-morpholin-4-ylpropyl)oxamide (PubChem CID 108518532) has the molecular formula C16H22N4O6 and a molecular weight of 366.37 g/mol. Its IUPAC name is N'-(2-methoxy-5-nitrophenyl)-N-(3-morpholin-4-ylpropyl)oxamide.

Molecular Properties

Compound NameN'-(2-methoxy-5-nitrophenyl)-N-(3-morpholin-4-ylpropyl)oxamide
PubChem CID108518532
Molecular FormulaC16H22N4O6
Molecular Weight366.37 g/mol
Exact Mass366.15
IUPAC NameN'-(2-methoxy-5-nitrophenyl)-N-(3-morpholin-4-ylpropyl)oxamide
SMILESCOc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NCCCN1CCOCC1
InChIInChI=1S/C16H22N4O6/c1-25-14-4-3-12(20(23)24)11-13(14)18-16(22)15(21)17-5-2-6-19-7-9-26-10-8-19/h3-4,11H,2,5-10H2,1H3,(H,17,21)(H,18,22)
InChIKeyIPULCTNTASACJI-UHFFFAOYSA-N
XLogP0.38
TPSA123.04 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.37
LogP ≤ 50.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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-methyl-4-nitrophenyl)-N-(2-morpholin-4-ylethyl)oxamide
CID 18588868
N-(3-morpholin-4-ylpropyl)-N'-(2-nitrophenyl)oxamide
CID 7585342
N-[(2-methoxy-5-nitrophenyl)methyl]-2-morpholin-4-ylethanamine
CID 43212568
2-[4-(2-hydroxyethyl)piperazin-1-yl]-N-(2-methoxy-5-nitrophenyl)-2-oxoacetamide
CID 108522934
4-(2-methoxy-4-nitroanilino)-2-(3-morpholin-4-ylpropylamino)-4-oxobutanoic acid
CID 18858561
(2S)-N-(2-methoxy-5-nitrophenyl)-2-morpholin-4-ylpropanamide
CID 2654021
N'-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methoxyphenyl]-N-(2-morpholin-4-ylethyl)oxamide
CID 29138842
N-[2-(4-fluorophenyl)ethyl]-N'-(2-methoxy-5-nitrophenyl)oxamide
CID 108531966
N-(3-morpholin-4-ylpropyl)-2,4-dinitrobenzamide
CID 3111269
(4-nitrophenyl) N-(3-morpholin-4-ylpropyl)carbamate
CID 155782764
1-(2-methyl-5-nitrophenyl)-3-(2-morpholin-4-ylethyl)thiourea
CID 8620220
N'-[(2-methoxyphenyl)methyl]-N-(3-morpholin-4-ylpropyl)oxamide
CID 44902502

Frequently Asked Questions

What is the IUPAC name of N'-(2-methoxy-5-nitrophenyl)-N-(3-morpholin-4-ylpropyl)oxamide?
The IUPAC name of N'-(2-methoxy-5-nitrophenyl)-N-(3-morpholin-4-ylpropyl)oxamide (CID 108518532) is N'-(2-methoxy-5-nitrophenyl)-N-(3-morpholin-4-ylpropyl)oxamide.
What is the SMILES notation for N'-(2-methoxy-5-nitrophenyl)-N-(3-morpholin-4-ylpropyl)oxamide?
The canonical SMILES for N'-(2-methoxy-5-nitrophenyl)-N-(3-morpholin-4-ylpropyl)oxamide is COc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NCCCN1CCOCC1.
What is the InChIKey of N'-(2-methoxy-5-nitrophenyl)-N-(3-morpholin-4-ylpropyl)oxamide?
The InChIKey is IPULCTNTASACJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O6/c1-25-14-4-3-12(20(23)24)11-13(14)18-16(22)15(21)17-5-2-6-19-7-9-26-10-8-19/h3-4,11H,2,5-10H2,1H3,(H,17,21)(H,18,22).
What are the key properties of N'-(2-methoxy-5-nitrophenyl)-N-(3-morpholin-4-ylpropyl)oxamide?
N'-(2-methoxy-5-nitrophenyl)-N-(3-morpholin-4-ylpropyl)oxamide has a molecular weight of 366.37 g/mol, XLogP of 0.38, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-methoxy-5-nitrophenyl)-N-(3-morpholin-4-ylpropyl)oxamide is sourced from PubChem (CID 108518532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).