N-(2-ethoxypropyl)-2-(propan-2-yloxymethyl)pyrrolidine-1-carboxamide

C14H28N2O3 — CID 174287271

IUPACN-(2-ethoxypropyl)-2-(propan-2-yloxymethyl)pyrrolidine-1-carboxamide
SMILESCCOC(C)CNC(=O)N1CCCC1COC(C)C
InChIInChI=1S/C14H28N2O3/c1-5-18-12(4)9-15-14(17)16-8-6-7-13(16)10-19-11(2)3/h11-13H,5-10H2,1-4H3,(H,15,17)
InChIKeyVLZKQRCYOZHAME-UHFFFAOYSA-N
MW272.39 g/mol
LogP2.01
Rot. Bonds7

About N-(2-ethoxypropyl)-2-(propan-2-yloxymethyl)pyrrolidine-1-carboxamide

N-(2-ethoxypropyl)-2-(propan-2-yloxymethyl)pyrrolidine-1-carboxamide (PubChem CID 174287271) has the molecular formula C14H28N2O3 and a molecular weight of 272.39 g/mol. Its IUPAC name is N-(2-ethoxypropyl)-2-(propan-2-yloxymethyl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-(2-ethoxypropyl)-2-(propan-2-yloxymethyl)pyrrolidine-1-carboxamide
PubChem CID174287271
Molecular FormulaC14H28N2O3
Molecular Weight272.39 g/mol
Exact Mass272.21
IUPAC NameN-(2-ethoxypropyl)-2-(propan-2-yloxymethyl)pyrrolidine-1-carboxamide
SMILESCCOC(C)CNC(=O)N1CCCC1COC(C)C
InChIInChI=1S/C14H28N2O3/c1-5-18-12(4)9-15-14(17)16-8-6-7-13(16)10-19-11(2)3/h11-13H,5-10H2,1-4H3,(H,15,17)
InChIKeyVLZKQRCYOZHAME-UHFFFAOYSA-N
XLogP2.01
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-ethoxypropyl)-2-(propan-2-yloxymethyl)pyrrolidine-1-carboxamide?
The IUPAC name of N-(2-ethoxypropyl)-2-(propan-2-yloxymethyl)pyrrolidine-1-carboxamide (CID 174287271) is N-(2-ethoxypropyl)-2-(propan-2-yloxymethyl)pyrrolidine-1-carboxamide.
What is the SMILES notation for N-(2-ethoxypropyl)-2-(propan-2-yloxymethyl)pyrrolidine-1-carboxamide?
The canonical SMILES for N-(2-ethoxypropyl)-2-(propan-2-yloxymethyl)pyrrolidine-1-carboxamide is CCOC(C)CNC(=O)N1CCCC1COC(C)C.
What is the InChIKey of N-(2-ethoxypropyl)-2-(propan-2-yloxymethyl)pyrrolidine-1-carboxamide?
The InChIKey is VLZKQRCYOZHAME-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O3/c1-5-18-12(4)9-15-14(17)16-8-6-7-13(16)10-19-11(2)3/h11-13H,5-10H2,1-4H3,(H,15,17).
What are the key properties of N-(2-ethoxypropyl)-2-(propan-2-yloxymethyl)pyrrolidine-1-carboxamide?
N-(2-ethoxypropyl)-2-(propan-2-yloxymethyl)pyrrolidine-1-carboxamide has a molecular weight of 272.39 g/mol, XLogP of 2.01, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethoxypropyl)-2-(propan-2-yloxymethyl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 174287271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).