N-ethyl-3-(5-methyloxolan-2-yl)-N-(quinolin-2-ylmethyl)propanamide

C20H26N2O2 — CID 84585108

IUPACN-ethyl-3-(5-methyloxolan-2-yl)-N-(quinolin-2-ylmethyl)propanamide
SMILESCCN(Cc1ccc2ccccc2n1)C(=O)CCC1CCC(C)O1
InChIInChI=1S/C20H26N2O2/c1-3-22(20(23)13-12-18-11-8-15(2)24-18)14-17-10-9-16-6-4-5-7-19(16)21-17/h4-7,9-10,15,18H,3,8,11-14H2,1-2H3
InChIKeyKSFQIJRQOWVEGM-UHFFFAOYSA-N
MW326.44 g/mol
LogP3.93
Rot. Bonds6

About N-ethyl-3-(5-methyloxolan-2-yl)-N-(quinolin-2-ylmethyl)propanamide

N-ethyl-3-(5-methyloxolan-2-yl)-N-(quinolin-2-ylmethyl)propanamide (PubChem CID 84585108) has the molecular formula C20H26N2O2 and a molecular weight of 326.44 g/mol. Its IUPAC name is N-ethyl-3-(5-methyloxolan-2-yl)-N-(quinolin-2-ylmethyl)propanamide.

Molecular Properties

Compound NameN-ethyl-3-(5-methyloxolan-2-yl)-N-(quinolin-2-ylmethyl)propanamide
PubChem CID84585108
Molecular FormulaC20H26N2O2
Molecular Weight326.44 g/mol
Exact Mass326.20
IUPAC NameN-ethyl-3-(5-methyloxolan-2-yl)-N-(quinolin-2-ylmethyl)propanamide
SMILESCCN(Cc1ccc2ccccc2n1)C(=O)CCC1CCC(C)O1
InChIInChI=1S/C20H26N2O2/c1-3-22(20(23)13-12-18-11-8-15(2)24-18)14-17-10-9-16-6-4-5-7-19(16)21-17/h4-7,9-10,15,18H,3,8,11-14H2,1-2H3
InChIKeyKSFQIJRQOWVEGM-UHFFFAOYSA-N
XLogP3.93
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-(5-methyloxolan-2-yl)-N-(quinolin-2-ylmethyl)propanamide?
The IUPAC name of N-ethyl-3-(5-methyloxolan-2-yl)-N-(quinolin-2-ylmethyl)propanamide (CID 84585108) is N-ethyl-3-(5-methyloxolan-2-yl)-N-(quinolin-2-ylmethyl)propanamide.
What is the SMILES notation for N-ethyl-3-(5-methyloxolan-2-yl)-N-(quinolin-2-ylmethyl)propanamide?
The canonical SMILES for N-ethyl-3-(5-methyloxolan-2-yl)-N-(quinolin-2-ylmethyl)propanamide is CCN(Cc1ccc2ccccc2n1)C(=O)CCC1CCC(C)O1.
What is the InChIKey of N-ethyl-3-(5-methyloxolan-2-yl)-N-(quinolin-2-ylmethyl)propanamide?
The InChIKey is KSFQIJRQOWVEGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O2/c1-3-22(20(23)13-12-18-11-8-15(2)24-18)14-17-10-9-16-6-4-5-7-19(16)21-17/h4-7,9-10,15,18H,3,8,11-14H2,1-2H3.
What are the key properties of N-ethyl-3-(5-methyloxolan-2-yl)-N-(quinolin-2-ylmethyl)propanamide?
N-ethyl-3-(5-methyloxolan-2-yl)-N-(quinolin-2-ylmethyl)propanamide has a molecular weight of 326.44 g/mol, XLogP of 3.93, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-(5-methyloxolan-2-yl)-N-(quinolin-2-ylmethyl)propanamide is sourced from PubChem (CID 84585108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).