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

C8H14N2O3 — CID 3099196

IUPACN-(3-hydroxypropyl)-N'-prop-2-enyloxamide
SMILESC=CCNC(=O)C(=O)NCCCO
InChIInChI=1S/C8H14N2O3/c1-2-4-9-7(12)8(13)10-5-3-6-11/h2,11H,1,3-6H2,(H,9,12)(H,10,13)
InChIKeyRMARJJJRDHSOQT-UHFFFAOYSA-N
MW186.21 g/mol
LogP-1.21
Rot. Bonds5

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

N-(3-hydroxypropyl)-N'-prop-2-enyloxamide (PubChem CID 3099196) has the molecular formula C8H14N2O3 and a molecular weight of 186.21 g/mol. Its IUPAC name is N-(3-hydroxypropyl)-N'-prop-2-enyloxamide.

Molecular Properties

Compound NameN-(3-hydroxypropyl)-N'-prop-2-enyloxamide
PubChem CID3099196
Molecular FormulaC8H14N2O3
Molecular Weight186.21 g/mol
Exact Mass186.10
IUPAC NameN-(3-hydroxypropyl)-N'-prop-2-enyloxamide
SMILESC=CCNC(=O)C(=O)NCCCO
InChIInChI=1S/C8H14N2O3/c1-2-4-9-7(12)8(13)10-5-3-6-11/h2,11H,1,3-6H2,(H,9,12)(H,10,13)
InChIKeyRMARJJJRDHSOQT-UHFFFAOYSA-N
XLogP-1.21
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.21
LogP ≤ 5-1.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'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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Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxypropyl)-N'-prop-2-enyloxamide?
The IUPAC name of N-(3-hydroxypropyl)-N'-prop-2-enyloxamide (CID 3099196) is N-(3-hydroxypropyl)-N'-prop-2-enyloxamide.
What is the SMILES notation for N-(3-hydroxypropyl)-N'-prop-2-enyloxamide?
The canonical SMILES for N-(3-hydroxypropyl)-N'-prop-2-enyloxamide is C=CCNC(=O)C(=O)NCCCO.
What is the InChIKey of N-(3-hydroxypropyl)-N'-prop-2-enyloxamide?
The InChIKey is RMARJJJRDHSOQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O3/c1-2-4-9-7(12)8(13)10-5-3-6-11/h2,11H,1,3-6H2,(H,9,12)(H,10,13).
What are the key properties of N-(3-hydroxypropyl)-N'-prop-2-enyloxamide?
N-(3-hydroxypropyl)-N'-prop-2-enyloxamide has a molecular weight of 186.21 g/mol, XLogP of -1.21, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxypropyl)-N'-prop-2-enyloxamide is sourced from PubChem (CID 3099196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).