N-cyclopropyl-2-methyl-2-(oxan-4-yl)-N-propylpropanamide

C15H27NO2 — CID 58376449

IUPACN-cyclopropyl-2-methyl-2-(oxan-4-yl)-N-propylpropanamide
SMILESCCCN(C(=O)C(C)(C)C1CCOCC1)C1CC1
InChIInChI=1S/C15H27NO2/c1-4-9-16(13-5-6-13)14(17)15(2,3)12-7-10-18-11-8-12/h12-13H,4-11H2,1-3H3
InChIKeyZZQMWUAWLFGUEA-UHFFFAOYSA-N
MW253.39 g/mol
LogP2.84
Rot. Bonds5

About N-cyclopropyl-2-methyl-2-(oxan-4-yl)-N-propylpropanamide

N-cyclopropyl-2-methyl-2-(oxan-4-yl)-N-propylpropanamide (PubChem CID 58376449) has the molecular formula C15H27NO2 and a molecular weight of 253.39 g/mol. Its IUPAC name is N-cyclopropyl-2-methyl-2-(oxan-4-yl)-N-propylpropanamide.

Molecular Properties

Compound NameN-cyclopropyl-2-methyl-2-(oxan-4-yl)-N-propylpropanamide
PubChem CID58376449
Molecular FormulaC15H27NO2
Molecular Weight253.39 g/mol
Exact Mass253.20
IUPAC NameN-cyclopropyl-2-methyl-2-(oxan-4-yl)-N-propylpropanamide
SMILESCCCN(C(=O)C(C)(C)C1CCOCC1)C1CC1
InChIInChI=1S/C15H27NO2/c1-4-9-16(13-5-6-13)14(17)15(2,3)12-7-10-18-11-8-12/h12-13H,4-11H2,1-3H3
InChIKeyZZQMWUAWLFGUEA-UHFFFAOYSA-N
XLogP2.84
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-methyl-2-(oxan-4-yl)-N-propylpropanamide?
The IUPAC name of N-cyclopropyl-2-methyl-2-(oxan-4-yl)-N-propylpropanamide (CID 58376449) is N-cyclopropyl-2-methyl-2-(oxan-4-yl)-N-propylpropanamide.
What is the SMILES notation for N-cyclopropyl-2-methyl-2-(oxan-4-yl)-N-propylpropanamide?
The canonical SMILES for N-cyclopropyl-2-methyl-2-(oxan-4-yl)-N-propylpropanamide is CCCN(C(=O)C(C)(C)C1CCOCC1)C1CC1.
What is the InChIKey of N-cyclopropyl-2-methyl-2-(oxan-4-yl)-N-propylpropanamide?
The InChIKey is ZZQMWUAWLFGUEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO2/c1-4-9-16(13-5-6-13)14(17)15(2,3)12-7-10-18-11-8-12/h12-13H,4-11H2,1-3H3.
What are the key properties of N-cyclopropyl-2-methyl-2-(oxan-4-yl)-N-propylpropanamide?
N-cyclopropyl-2-methyl-2-(oxan-4-yl)-N-propylpropanamide has a molecular weight of 253.39 g/mol, XLogP of 2.84, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-methyl-2-(oxan-4-yl)-N-propylpropanamide is sourced from PubChem (CID 58376449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).