N'-(oxolan-2-ylmethyl)-N-prop-2-enylbutanediamide

C12H20N2O3 — CID 51362590

IUPACN'-(oxolan-2-ylmethyl)-N-prop-2-enylbutanediamide
SMILESC=CCNC(=O)CCC(=O)NCC1CCCO1
InChIInChI=1S/C12H20N2O3/c1-2-7-13-11(15)5-6-12(16)14-9-10-4-3-8-17-10/h2,10H,1,3-9H2,(H,13,15)(H,14,16)
InChIKeyLYLOXPLWBJJNGR-UHFFFAOYSA-N
MW240.30 g/mol
LogP0.36
Rot. Bonds7

About N'-(oxolan-2-ylmethyl)-N-prop-2-enylbutanediamide

N'-(oxolan-2-ylmethyl)-N-prop-2-enylbutanediamide (PubChem CID 51362590) has the molecular formula C12H20N2O3 and a molecular weight of 240.30 g/mol. Its IUPAC name is N'-(oxolan-2-ylmethyl)-N-prop-2-enylbutanediamide.

Molecular Properties

Compound NameN'-(oxolan-2-ylmethyl)-N-prop-2-enylbutanediamide
PubChem CID51362590
Molecular FormulaC12H20N2O3
Molecular Weight240.30 g/mol
Exact Mass240.15
IUPAC NameN'-(oxolan-2-ylmethyl)-N-prop-2-enylbutanediamide
SMILESC=CCNC(=O)CCC(=O)NCC1CCCO1
InChIInChI=1S/C12H20N2O3/c1-2-7-13-11(15)5-6-12(16)14-9-10-4-3-8-17-10/h2,10H,1,3-9H2,(H,13,15)(H,14,16)
InChIKeyLYLOXPLWBJJNGR-UHFFFAOYSA-N
XLogP0.36
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.30
LogP ≤ 50.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-(oxolan-2-ylmethyl)prop-2-enamide
CID 15332973
3-[acetyl(prop-2-enyl)amino]-N-(oxolan-2-ylmethyl)propanamide
CID 113115526
6-oxo-6-(oxolan-2-ylmethylamino)hexanoic acid
CID 43529693
methyl 4-oxo-4-(oxolan-2-ylmethylamino)butanoate
CID 112511188
3-[[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]-prop-2-enylamino]propanoic acid
CID 82327265
2-(oxolan-2-yl)-N-(oxolan-2-ylmethyl)acetamide
CID 110696563
3-(methylamino)-N-(oxolan-2-ylmethyl)propanamide
CID 54773627
2-(oxolan-2-ylmethylamino)-N-prop-2-enylpropanamide
CID 43086819
6-(oxan-2-ylmethylamino)-6-oxohexanoic acid
CID 55014045
6-acetamido-N-(oxolan-2-ylmethyl)hexanamide
CID 86978113
N-[[(2R)-oxolan-2-yl]methyl]-2-[[(2R)-oxolan-2-yl]methylamino]acetamide
CID 7437120
2-chloro-N-(oxolan-2-ylmethyl)acetamide;hydrochloride
CID 143235594

Frequently Asked Questions

What is the IUPAC name of N'-(oxolan-2-ylmethyl)-N-prop-2-enylbutanediamide?
The IUPAC name of N'-(oxolan-2-ylmethyl)-N-prop-2-enylbutanediamide (CID 51362590) is N'-(oxolan-2-ylmethyl)-N-prop-2-enylbutanediamide.
What is the SMILES notation for N'-(oxolan-2-ylmethyl)-N-prop-2-enylbutanediamide?
The canonical SMILES for N'-(oxolan-2-ylmethyl)-N-prop-2-enylbutanediamide is C=CCNC(=O)CCC(=O)NCC1CCCO1.
What is the InChIKey of N'-(oxolan-2-ylmethyl)-N-prop-2-enylbutanediamide?
The InChIKey is LYLOXPLWBJJNGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O3/c1-2-7-13-11(15)5-6-12(16)14-9-10-4-3-8-17-10/h2,10H,1,3-9H2,(H,13,15)(H,14,16).
What are the key properties of N'-(oxolan-2-ylmethyl)-N-prop-2-enylbutanediamide?
N'-(oxolan-2-ylmethyl)-N-prop-2-enylbutanediamide has a molecular weight of 240.30 g/mol, XLogP of 0.36, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(oxolan-2-ylmethyl)-N-prop-2-enylbutanediamide is sourced from PubChem (CID 51362590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).