N-[3-(dimethylamino)propyl]-N'-(4-nitrophenyl)oxamide

C13H18N4O4 — CID 7584694

IUPACN-[3-(dimethylamino)propyl]-N'-(4-nitrophenyl)oxamide
SMILESCN(C)CCCNC(=O)C(=O)Nc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C13H18N4O4/c1-16(2)9-3-8-14-12(18)13(19)15-10-4-6-11(7-5-10)17(20)21/h4-7H,3,8-9H2,1-2H3,(H,14,18)(H,15,19)
InChIKeyFUCBYGOTRKIRMI-UHFFFAOYSA-N
MW294.31 g/mol
LogP0.60
Rot. Bonds6

About N-[3-(dimethylamino)propyl]-N'-(4-nitrophenyl)oxamide

N-[3-(dimethylamino)propyl]-N'-(4-nitrophenyl)oxamide (PubChem CID 7584694) has the molecular formula C13H18N4O4 and a molecular weight of 294.31 g/mol. Its IUPAC name is N-[3-(dimethylamino)propyl]-N'-(4-nitrophenyl)oxamide.

Molecular Properties

Compound NameN-[3-(dimethylamino)propyl]-N'-(4-nitrophenyl)oxamide
PubChem CID7584694
Molecular FormulaC13H18N4O4
Molecular Weight294.31 g/mol
Exact Mass294.13
IUPAC NameN-[3-(dimethylamino)propyl]-N'-(4-nitrophenyl)oxamide
SMILESCN(C)CCCNC(=O)C(=O)Nc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C13H18N4O4/c1-16(2)9-3-8-14-12(18)13(19)15-10-4-6-11(7-5-10)17(20)21/h4-7H,3,8-9H2,1-2H3,(H,14,18)(H,15,19)
InChIKeyFUCBYGOTRKIRMI-UHFFFAOYSA-N
XLogP0.60
TPSA104.58 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.31
LogP ≤ 50.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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'-(4-chloro-3-nitrophenyl)-N-[3-(dimethylamino)propyl]oxamide
CID 108512751
N-(3-formamidopropyl)-N'-(4-nitrophenyl)oxamide
CID 108513182
N-[3-(dimethylamino)propyl]-3-(4-nitrophenyl)prop-2-enamide
CID 2873871
N'-(3-chloro-4-methylphenyl)-N-[3-(dimethylamino)propyl]oxamide
CID 7585404
1-[3-(N-methylanilino)propyl]-3-(4-nitrophenyl)thiourea
CID 8657617
1-(4-nitrophenyl)-3-[6-[(4-nitrophenyl)carbamoylamino]hexyl]urea
CID 136817257
N'-(4-bromo-3-methylphenyl)-N-[3-(dimethylamino)propyl]oxamide
CID 47148089
2-[2-[3-(dimethylamino)propylcarbamothioyl]hydrazinyl]-N-(4-methylphenyl)-2-oxoacetamide
CID 9214234
1-[3-(methylamino)propyl]-3-(4-nitrophenyl)urea
CID 43602363
1-(2-chloroethyl)-1-methyl-3-(4-nitrophenyl)urea
CID 106441668
N'-(4-cyanophenyl)-N-[2-(dimethylamino)ethyl]oxamide
CID 108519474
N-[3-[3-(dimethylamino)propylamino]-3-oxo-1-phenylprop-1-en-2-yl]-4-nitrobenzamide
CID 3126647

Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylamino)propyl]-N'-(4-nitrophenyl)oxamide?
The IUPAC name of N-[3-(dimethylamino)propyl]-N'-(4-nitrophenyl)oxamide (CID 7584694) is N-[3-(dimethylamino)propyl]-N'-(4-nitrophenyl)oxamide.
What is the SMILES notation for N-[3-(dimethylamino)propyl]-N'-(4-nitrophenyl)oxamide?
The canonical SMILES for N-[3-(dimethylamino)propyl]-N'-(4-nitrophenyl)oxamide is CN(C)CCCNC(=O)C(=O)Nc1ccc([N+](=O)[O-])cc1.
What is the InChIKey of N-[3-(dimethylamino)propyl]-N'-(4-nitrophenyl)oxamide?
The InChIKey is FUCBYGOTRKIRMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O4/c1-16(2)9-3-8-14-12(18)13(19)15-10-4-6-11(7-5-10)17(20)21/h4-7H,3,8-9H2,1-2H3,(H,14,18)(H,15,19).
What are the key properties of N-[3-(dimethylamino)propyl]-N'-(4-nitrophenyl)oxamide?
N-[3-(dimethylamino)propyl]-N'-(4-nitrophenyl)oxamide has a molecular weight of 294.31 g/mol, XLogP of 0.60, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylamino)propyl]-N'-(4-nitrophenyl)oxamide is sourced from PubChem (CID 7584694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).