2-cyclopropyl-3-(oxolan-3-yloxy)-2-(propylamino)propanamide

C13H24N2O3 — CID 63921207

IUPAC2-cyclopropyl-3-(oxolan-3-yloxy)-2-(propylamino)propanamide
SMILESCCCNC(COC1CCOC1)(C(N)=O)C1CC1
InChIInChI=1S/C13H24N2O3/c1-2-6-15-13(12(14)16,10-3-4-10)9-18-11-5-7-17-8-11/h10-11,15H,2-9H2,1H3,(H2,14,16)
InChIKeyPKIPLPBRXZLATO-UHFFFAOYSA-N
MW256.35 g/mol
LogP0.43
Rot. Bonds8

About 2-cyclopropyl-3-(oxolan-3-yloxy)-2-(propylamino)propanamide

2-cyclopropyl-3-(oxolan-3-yloxy)-2-(propylamino)propanamide (PubChem CID 63921207) has the molecular formula C13H24N2O3 and a molecular weight of 256.35 g/mol. Its IUPAC name is 2-cyclopropyl-3-(oxolan-3-yloxy)-2-(propylamino)propanamide.

Molecular Properties

Compound Name2-cyclopropyl-3-(oxolan-3-yloxy)-2-(propylamino)propanamide
PubChem CID63921207
Molecular FormulaC13H24N2O3
Molecular Weight256.35 g/mol
Exact Mass256.18
IUPAC Name2-cyclopropyl-3-(oxolan-3-yloxy)-2-(propylamino)propanamide
SMILESCCCNC(COC1CCOC1)(C(N)=O)C1CC1
InChIInChI=1S/C13H24N2O3/c1-2-6-15-13(12(14)16,10-3-4-10)9-18-11-5-7-17-8-11/h10-11,15H,2-9H2,1H3,(H2,14,16)
InChIKeyPKIPLPBRXZLATO-UHFFFAOYSA-N
XLogP0.43
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 50.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-3-(oxolan-3-yloxy)-2-(propylamino)propanamide?
The IUPAC name of 2-cyclopropyl-3-(oxolan-3-yloxy)-2-(propylamino)propanamide (CID 63921207) is 2-cyclopropyl-3-(oxolan-3-yloxy)-2-(propylamino)propanamide.
What is the SMILES notation for 2-cyclopropyl-3-(oxolan-3-yloxy)-2-(propylamino)propanamide?
The canonical SMILES for 2-cyclopropyl-3-(oxolan-3-yloxy)-2-(propylamino)propanamide is CCCNC(COC1CCOC1)(C(N)=O)C1CC1.
What is the InChIKey of 2-cyclopropyl-3-(oxolan-3-yloxy)-2-(propylamino)propanamide?
The InChIKey is PKIPLPBRXZLATO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O3/c1-2-6-15-13(12(14)16,10-3-4-10)9-18-11-5-7-17-8-11/h10-11,15H,2-9H2,1H3,(H2,14,16).
What are the key properties of 2-cyclopropyl-3-(oxolan-3-yloxy)-2-(propylamino)propanamide?
2-cyclopropyl-3-(oxolan-3-yloxy)-2-(propylamino)propanamide has a molecular weight of 256.35 g/mol, XLogP of 0.43, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-3-(oxolan-3-yloxy)-2-(propylamino)propanamide is sourced from PubChem (CID 63921207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).