N-methyl-N-(oxan-4-ylmethyl)-3-propylpyrrolidine-3-carboxamide

C15H28N2O2 — CID 55226836

IUPACN-methyl-N-(oxan-4-ylmethyl)-3-propylpyrrolidine-3-carboxamide
SMILESCCCC1(C(=O)N(C)CC2CCOCC2)CCNC1
InChIInChI=1S/C15H28N2O2/c1-3-6-15(7-8-16-12-15)14(18)17(2)11-13-4-9-19-10-5-13/h13,16H,3-12H2,1-2H3
InChIKeyNIIYUCDWQBKTFL-UHFFFAOYSA-N
MW268.40 g/mol
LogP1.65
Rot. Bonds5

About N-methyl-N-(oxan-4-ylmethyl)-3-propylpyrrolidine-3-carboxamide

N-methyl-N-(oxan-4-ylmethyl)-3-propylpyrrolidine-3-carboxamide (PubChem CID 55226836) has the molecular formula C15H28N2O2 and a molecular weight of 268.40 g/mol. Its IUPAC name is N-methyl-N-(oxan-4-ylmethyl)-3-propylpyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-methyl-N-(oxan-4-ylmethyl)-3-propylpyrrolidine-3-carboxamide
PubChem CID55226836
Molecular FormulaC15H28N2O2
Molecular Weight268.40 g/mol
Exact Mass268.22
IUPAC NameN-methyl-N-(oxan-4-ylmethyl)-3-propylpyrrolidine-3-carboxamide
SMILESCCCC1(C(=O)N(C)CC2CCOCC2)CCNC1
InChIInChI=1S/C15H28N2O2/c1-3-6-15(7-8-16-12-15)14(18)17(2)11-13-4-9-19-10-5-13/h13,16H,3-12H2,1-2H3
InChIKeyNIIYUCDWQBKTFL-UHFFFAOYSA-N
XLogP1.65
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(oxan-4-ylmethyl)-3-propylpyrrolidine-3-carboxamide?
The IUPAC name of N-methyl-N-(oxan-4-ylmethyl)-3-propylpyrrolidine-3-carboxamide (CID 55226836) is N-methyl-N-(oxan-4-ylmethyl)-3-propylpyrrolidine-3-carboxamide.
What is the SMILES notation for N-methyl-N-(oxan-4-ylmethyl)-3-propylpyrrolidine-3-carboxamide?
The canonical SMILES for N-methyl-N-(oxan-4-ylmethyl)-3-propylpyrrolidine-3-carboxamide is CCCC1(C(=O)N(C)CC2CCOCC2)CCNC1.
What is the InChIKey of N-methyl-N-(oxan-4-ylmethyl)-3-propylpyrrolidine-3-carboxamide?
The InChIKey is NIIYUCDWQBKTFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O2/c1-3-6-15(7-8-16-12-15)14(18)17(2)11-13-4-9-19-10-5-13/h13,16H,3-12H2,1-2H3.
What are the key properties of N-methyl-N-(oxan-4-ylmethyl)-3-propylpyrrolidine-3-carboxamide?
N-methyl-N-(oxan-4-ylmethyl)-3-propylpyrrolidine-3-carboxamide has a molecular weight of 268.40 g/mol, XLogP of 1.65, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(oxan-4-ylmethyl)-3-propylpyrrolidine-3-carboxamide is sourced from PubChem (CID 55226836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).