N-(5-hydroxypentyl)-N'-(3-nitrophenyl)oxamide

C13H17N3O5 — CID 108513314

IUPACN-(5-hydroxypentyl)-N'-(3-nitrophenyl)oxamide
SMILESO=C(NCCCCCO)C(=O)Nc1cccc([N+](=O)[O-])c1
InChIInChI=1S/C13H17N3O5/c17-8-3-1-2-7-14-12(18)13(19)15-10-5-4-6-11(9-10)16(20)21/h4-6,9,17H,1-3,7-8H2,(H,14,18)(H,15,19)
InChIKeyVTUIMNXXABKGRB-UHFFFAOYSA-N
MW295.29 g/mol
LogP0.81
Rot. Bonds7

About N-(5-hydroxypentyl)-N'-(3-nitrophenyl)oxamide

N-(5-hydroxypentyl)-N'-(3-nitrophenyl)oxamide (PubChem CID 108513314) has the molecular formula C13H17N3O5 and a molecular weight of 295.29 g/mol. Its IUPAC name is N-(5-hydroxypentyl)-N'-(3-nitrophenyl)oxamide.

Molecular Properties

Compound NameN-(5-hydroxypentyl)-N'-(3-nitrophenyl)oxamide
PubChem CID108513314
Molecular FormulaC13H17N3O5
Molecular Weight295.29 g/mol
Exact Mass295.12
IUPAC NameN-(5-hydroxypentyl)-N'-(3-nitrophenyl)oxamide
SMILESO=C(NCCCCCO)C(=O)Nc1cccc([N+](=O)[O-])c1
InChIInChI=1S/C13H17N3O5/c17-8-3-1-2-7-14-12(18)13(19)15-10-5-4-6-11(9-10)16(20)21/h4-6,9,17H,1-3,7-8H2,(H,14,18)(H,15,19)
InChIKeyVTUIMNXXABKGRB-UHFFFAOYSA-N
XLogP0.81
TPSA121.57 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.29
LogP ≤ 50.81
H-Bond Donors ≤ 53
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'}

Analyze N-(5-hydroxypentyl)-N'-(3-nitrophenyl)oxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-chloroethyl)-N'-(3-nitrophenyl)oxamide
CID 108513255
(Z)-2-cyano-3-(5-hydroxypentylamino)-N-(3-nitrophenyl)prop-2-enamide
CID 108853428
N-(6-hydroxyhexyl)-N'-phenyloxamide
CID 50850958
N-(5-hydroxypentyl)-N'-(3-methoxyphenyl)oxamide
CID 108519583
3-(3-nitroanilino)propan-1-ol
CID 13409919
N-[2-[4-(dimethylamino)phenyl]ethyl]-N'-(3-nitrophenyl)oxamide
CID 16891544
N'-(3-fluorophenyl)-N-(3-nitrophenyl)oxamide
CID 108513374
N'-(3,5-dimethylphenyl)-N-(3-nitrophenyl)oxamide
CID 45001006
N'-(3-bromophenyl)-N-(3-hydroxypropyl)oxamide
CID 568365
N-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]-N'-(3-nitrophenyl)oxamide
CID 42390084
N'-naphthalen-1-yl-N-(3-nitrophenyl)oxamide
CID 108513330
1-(3-nitrophenyl)-3-(3-sulfamoylpropyl)urea
CID 61131314

Frequently Asked Questions

What is the IUPAC name of N-(5-hydroxypentyl)-N'-(3-nitrophenyl)oxamide?
The IUPAC name of N-(5-hydroxypentyl)-N'-(3-nitrophenyl)oxamide (CID 108513314) is N-(5-hydroxypentyl)-N'-(3-nitrophenyl)oxamide.
What is the SMILES notation for N-(5-hydroxypentyl)-N'-(3-nitrophenyl)oxamide?
The canonical SMILES for N-(5-hydroxypentyl)-N'-(3-nitrophenyl)oxamide is O=C(NCCCCCO)C(=O)Nc1cccc([N+](=O)[O-])c1.
What is the InChIKey of N-(5-hydroxypentyl)-N'-(3-nitrophenyl)oxamide?
The InChIKey is VTUIMNXXABKGRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O5/c17-8-3-1-2-7-14-12(18)13(19)15-10-5-4-6-11(9-10)16(20)21/h4-6,9,17H,1-3,7-8H2,(H,14,18)(H,15,19).
What are the key properties of N-(5-hydroxypentyl)-N'-(3-nitrophenyl)oxamide?
N-(5-hydroxypentyl)-N'-(3-nitrophenyl)oxamide has a molecular weight of 295.29 g/mol, XLogP of 0.81, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-hydroxypentyl)-N'-(3-nitrophenyl)oxamide is sourced from PubChem (CID 108513314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).