N-(3-formamidopropyl)-N'-prop-2-enyloxamide

C9H15N3O3 — CID 108526430

IUPACN-(3-formamidopropyl)-N'-prop-2-enyloxamide
SMILESC=CCNC(=O)C(=O)NCCCNC=O
InChIInChI=1S/C9H15N3O3/c1-2-4-11-8(14)9(15)12-6-3-5-10-7-13/h2,7H,1,3-6H2,(H,10,13)(H,11,14)(H,12,15)
InChIKeyOBJPRVFXTUGKFF-UHFFFAOYSA-N
MW213.24 g/mol
LogP-1.46
Rot. Bonds7

About N-(3-formamidopropyl)-N'-prop-2-enyloxamide

N-(3-formamidopropyl)-N'-prop-2-enyloxamide (PubChem CID 108526430) has the molecular formula C9H15N3O3 and a molecular weight of 213.24 g/mol. Its IUPAC name is N-(3-formamidopropyl)-N'-prop-2-enyloxamide.

Molecular Properties

Compound NameN-(3-formamidopropyl)-N'-prop-2-enyloxamide
PubChem CID108526430
Molecular FormulaC9H15N3O3
Molecular Weight213.24 g/mol
Exact Mass213.11
IUPAC NameN-(3-formamidopropyl)-N'-prop-2-enyloxamide
SMILESC=CCNC(=O)C(=O)NCCCNC=O
InChIInChI=1S/C9H15N3O3/c1-2-4-11-8(14)9(15)12-6-3-5-10-7-13/h2,7H,1,3-6H2,(H,10,13)(H,11,14)(H,12,15)
InChIKeyOBJPRVFXTUGKFF-UHFFFAOYSA-N
XLogP-1.46
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.24
LogP ≤ 5-1.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-(5-hydroxypentyl)-N'-prop-2-enyloxamide
CID 108525776
N-(3-hydroxypropyl)-N'-prop-2-enyloxamide
CID 3099196
2-bromo-N-(3-formamidopropyl)acetamide
CID 122608311
N-[3-[2-[3-formamidopropyl(2-methylprop-2-enoyl)amino]ethyl-(2-methylprop-2-enoyl)amino]propyl]-2-methylprop-2-enamide
CID 145023747
N-(3-formamidopropyl)-N'-(4-nitrophenyl)oxamide
CID 108513182
N-(3-formamidopropyl)-N'-(4-sulfamoylphenyl)oxamide
CID 108508777
N-[3-(prop-1-en-2-ylcarbamoylamino)propyl]formamide
CID 108910349
2,2,2-trifluoro-N-(3-formamidopropyl)acetamide
CID 110461270
N-(prop-2-enylcarbamoyl)formamide
CID 87901285
(E)-2,7-dimethylidene-N,N'-bis(prop-2-enyl)oct-4-enediamide
CID 175865307
N-(3-formamidopropyl)-N'-(oxolan-2-ylmethyl)oxamide
CID 108507620
N-(3-formamidopropyl)-2-(4-formylpiperazin-1-yl)-2-oxoacetamide
CID 108528818

Frequently Asked Questions

What is the IUPAC name of N-(3-formamidopropyl)-N'-prop-2-enyloxamide?
The IUPAC name of N-(3-formamidopropyl)-N'-prop-2-enyloxamide (CID 108526430) is N-(3-formamidopropyl)-N'-prop-2-enyloxamide.
What is the SMILES notation for N-(3-formamidopropyl)-N'-prop-2-enyloxamide?
The canonical SMILES for N-(3-formamidopropyl)-N'-prop-2-enyloxamide is C=CCNC(=O)C(=O)NCCCNC=O.
What is the InChIKey of N-(3-formamidopropyl)-N'-prop-2-enyloxamide?
The InChIKey is OBJPRVFXTUGKFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O3/c1-2-4-11-8(14)9(15)12-6-3-5-10-7-13/h2,7H,1,3-6H2,(H,10,13)(H,11,14)(H,12,15).
What are the key properties of N-(3-formamidopropyl)-N'-prop-2-enyloxamide?
N-(3-formamidopropyl)-N'-prop-2-enyloxamide has a molecular weight of 213.24 g/mol, XLogP of -1.46, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-formamidopropyl)-N'-prop-2-enyloxamide is sourced from PubChem (CID 108526430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).