N-(3-formamidopropyl)-N'-(4-nitrophenyl)oxamide

C12H14N4O5 — CID 108513182

IUPACN-(3-formamidopropyl)-N'-(4-nitrophenyl)oxamide
SMILESO=CNCCCNC(=O)C(=O)Nc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C12H14N4O5/c17-8-13-6-1-7-14-11(18)12(19)15-9-2-4-10(5-3-9)16(20)21/h2-5,8H,1,6-7H2,(H,13,17)(H,14,18)(H,15,19)
InChIKeyQJHXVQDAUXDEPQ-UHFFFAOYSA-N
MW294.27 g/mol
LogP-0.21
Rot. Bonds7

About N-(3-formamidopropyl)-N'-(4-nitrophenyl)oxamide

N-(3-formamidopropyl)-N'-(4-nitrophenyl)oxamide (PubChem CID 108513182) has the molecular formula C12H14N4O5 and a molecular weight of 294.27 g/mol. Its IUPAC name is N-(3-formamidopropyl)-N'-(4-nitrophenyl)oxamide.

Molecular Properties

Compound NameN-(3-formamidopropyl)-N'-(4-nitrophenyl)oxamide
PubChem CID108513182
Molecular FormulaC12H14N4O5
Molecular Weight294.27 g/mol
Exact Mass294.10
IUPAC NameN-(3-formamidopropyl)-N'-(4-nitrophenyl)oxamide
SMILESO=CNCCCNC(=O)C(=O)Nc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C12H14N4O5/c17-8-13-6-1-7-14-11(18)12(19)15-9-2-4-10(5-3-9)16(20)21/h2-5,8H,1,6-7H2,(H,13,17)(H,14,18)(H,15,19)
InChIKeyQJHXVQDAUXDEPQ-UHFFFAOYSA-N
XLogP-0.21
TPSA130.44 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.27
LogP ≤ 5-0.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'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-(3-formamidopropyl)-N'-(4-sulfamoylphenyl)oxamide
CID 108508777
N-[3-(dimethylamino)propyl]-N'-(4-nitrophenyl)oxamide
CID 7584694
1-(4-nitrophenyl)-3-[6-[(4-nitrophenyl)carbamoylamino]hexyl]urea
CID 136817257
1-[3-(methylamino)propyl]-3-(4-nitrophenyl)urea
CID 43602363
N-[2-(furan-2-yl)ethyl]-N'-(4-nitrophenyl)oxamide
CID 7584723
N-(5-hydroxypentyl)-N'-(3-nitrophenyl)oxamide
CID 108513314
N-[3-(furan-2-yl)-3-hydroxypropyl]-N'-(4-nitrophenyl)oxamide
CID 90523930
N-[3-(4-nitroanilino)propyl]acetamide
CID 2885784
2-[3-(4-nitroanilino)propylamino]-N-(4-nitrophenyl)acetamide
CID 3610895
1-[3-(cyclopropylamino)propyl]-3-(4-nitrophenyl)urea
CID 43596866
1-(4-azidobutyl)-3-(4-nitrophenyl)urea
CID 106386947
N-[2-(4-nitrophenyl)ethyl]formamide
CID 64992334

Frequently Asked Questions

What is the IUPAC name of N-(3-formamidopropyl)-N'-(4-nitrophenyl)oxamide?
The IUPAC name of N-(3-formamidopropyl)-N'-(4-nitrophenyl)oxamide (CID 108513182) is N-(3-formamidopropyl)-N'-(4-nitrophenyl)oxamide.
What is the SMILES notation for N-(3-formamidopropyl)-N'-(4-nitrophenyl)oxamide?
The canonical SMILES for N-(3-formamidopropyl)-N'-(4-nitrophenyl)oxamide is O=CNCCCNC(=O)C(=O)Nc1ccc([N+](=O)[O-])cc1.
What is the InChIKey of N-(3-formamidopropyl)-N'-(4-nitrophenyl)oxamide?
The InChIKey is QJHXVQDAUXDEPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O5/c17-8-13-6-1-7-14-11(18)12(19)15-9-2-4-10(5-3-9)16(20)21/h2-5,8H,1,6-7H2,(H,13,17)(H,14,18)(H,15,19).
What are the key properties of N-(3-formamidopropyl)-N'-(4-nitrophenyl)oxamide?
N-(3-formamidopropyl)-N'-(4-nitrophenyl)oxamide has a molecular weight of 294.27 g/mol, XLogP of -0.21, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-formamidopropyl)-N'-(4-nitrophenyl)oxamide is sourced from PubChem (CID 108513182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).