N-[4-(diethylamino)phenyl]-N'-(2-methoxy-5-nitrophenyl)oxamide

C19H22N4O5 — CID 108530617

IUPACN-[4-(diethylamino)phenyl]-N'-(2-methoxy-5-nitrophenyl)oxamide
SMILESCCN(CC)c1ccc(NC(=O)C(=O)Nc2cc([N+](=O)[O-])ccc2OC)cc1
InChIInChI=1S/C19H22N4O5/c1-4-22(5-2)14-8-6-13(7-9-14)20-18(24)19(25)21-16-12-15(23(26)27)10-11-17(16)28-3/h6-12H,4-5H2,1-3H3,(H,20,24)(H,21,25)
InChIKeyJPTRIUBVATTXSE-UHFFFAOYSA-N
MW386.41 g/mol
LogP3.03
Rot. Bonds7

About N-[4-(diethylamino)phenyl]-N'-(2-methoxy-5-nitrophenyl)oxamide

N-[4-(diethylamino)phenyl]-N'-(2-methoxy-5-nitrophenyl)oxamide (PubChem CID 108530617) has the molecular formula C19H22N4O5 and a molecular weight of 386.41 g/mol. Its IUPAC name is N-[4-(diethylamino)phenyl]-N'-(2-methoxy-5-nitrophenyl)oxamide.

Molecular Properties

Compound NameN-[4-(diethylamino)phenyl]-N'-(2-methoxy-5-nitrophenyl)oxamide
PubChem CID108530617
Molecular FormulaC19H22N4O5
Molecular Weight386.41 g/mol
Exact Mass386.16
IUPAC NameN-[4-(diethylamino)phenyl]-N'-(2-methoxy-5-nitrophenyl)oxamide
SMILESCCN(CC)c1ccc(NC(=O)C(=O)Nc2cc([N+](=O)[O-])ccc2OC)cc1
InChIInChI=1S/C19H22N4O5/c1-4-22(5-2)14-8-6-13(7-9-14)20-18(24)19(25)21-16-12-15(23(26)27)10-11-17(16)28-3/h6-12H,4-5H2,1-3H3,(H,20,24)(H,21,25)
InChIKeyJPTRIUBVATTXSE-UHFFFAOYSA-N
XLogP3.03
TPSA113.81 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.41
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', '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-[4-(diethylamino)phenyl]-2-methoxy-5-nitrobenzamide
CID 46410238
N-(3-acetylphenyl)-N'-(2-methoxy-5-nitrophenyl)oxamide
CID 108515064
2-amino-2-ethyl-N-(2-methoxy-5-nitrophenyl)butanamide
CID 79809415
1-ethyl-3-(2-methoxy-5-nitrophenyl)urea
CID 75412823
N'-butyl-N-(2-methoxy-5-nitrophenyl)-N'-methyloxamide
CID 108528561
4-(butanoylamino)-N-(2-methoxy-5-nitrophenyl)benzamide
CID 2162625
N'-ethyl-N-(2-methoxy-5-nitrophenyl)-N'-(3-methylphenyl)oxamide
CID 108532435
N-(4-tert-butylphenyl)-N'-(2-methoxy-4-nitrophenyl)oxamide
CID 108513014
N-(2-amino-5-methylphenyl)-N'-(2-methoxy-5-nitrophenyl)oxamide
CID 108532452
3-(2-methoxy-5-nitroanilino)-3-oxopropanoic acid
CID 62230736
N'-(4-chloro-2-methoxy-5-methylphenyl)-N-(4-nitrophenyl)oxamide
CID 108513231
3-(2-methoxy-5-nitrophenyl)-1,1-diphenylurea
CID 3430269

Frequently Asked Questions

What is the IUPAC name of N-[4-(diethylamino)phenyl]-N'-(2-methoxy-5-nitrophenyl)oxamide?
The IUPAC name of N-[4-(diethylamino)phenyl]-N'-(2-methoxy-5-nitrophenyl)oxamide (CID 108530617) is N-[4-(diethylamino)phenyl]-N'-(2-methoxy-5-nitrophenyl)oxamide.
What is the SMILES notation for N-[4-(diethylamino)phenyl]-N'-(2-methoxy-5-nitrophenyl)oxamide?
The canonical SMILES for N-[4-(diethylamino)phenyl]-N'-(2-methoxy-5-nitrophenyl)oxamide is CCN(CC)c1ccc(NC(=O)C(=O)Nc2cc([N+](=O)[O-])ccc2OC)cc1.
What is the InChIKey of N-[4-(diethylamino)phenyl]-N'-(2-methoxy-5-nitrophenyl)oxamide?
The InChIKey is JPTRIUBVATTXSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O5/c1-4-22(5-2)14-8-6-13(7-9-14)20-18(24)19(25)21-16-12-15(23(26)27)10-11-17(16)28-3/h6-12H,4-5H2,1-3H3,(H,20,24)(H,21,25).
What are the key properties of N-[4-(diethylamino)phenyl]-N'-(2-methoxy-5-nitrophenyl)oxamide?
N-[4-(diethylamino)phenyl]-N'-(2-methoxy-5-nitrophenyl)oxamide has a molecular weight of 386.41 g/mol, XLogP of 3.03, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(diethylamino)phenyl]-N'-(2-methoxy-5-nitrophenyl)oxamide is sourced from PubChem (CID 108530617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).