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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Related Compounds

(3R,3aS,4S,4aS,9aR)-3-methyl-4-(2-(quinolin-2-yl)vinyl)-3,3a,4,4a,5,6,7,8-octahydronaphtho[2,3-c]furan-1(9aH)-one
CID 44416690
Ethyl 3-(2-ethoxy-2-oxoethyl)-1,3-dihydro-2h-pyrrolo[3,4-b]quinoline-2-carboxylate
CID 280621
(3R,3aS,4S,4aS,9aR)-3-ethyl-4-(2-(quinolin-2-yl)vinyl)-3,3a,4,4a,5,6,7,8-octahydronaphtho[2,3-c]furan-1(9aH)-one
CID 44416541
2-Quinolinecarboxamide, N-butyl-N-(2-(diethylamino)ethyl)-
CID 206521
(3aR,6S,7aR)-N-propan-2-yl-4-(quinolin-2-ylmethyl)-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyridine-6-carboxamide
CID 97365061
(3aR,6S,7aR)-N-cyclopropyl-4-(quinolin-2-ylmethyl)-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyridine-6-carboxamide
CID 97365103
(3R,4aR,8aS)-N-methyl-6-(quinolin-2-ylmethyl)-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridine-3-carboxamide
CID 97366422
(3aR,6R,7aR)-N-propan-2-yl-4-(quinolin-2-ylmethyl)-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyridine-6-carboxamide
CID 97387334
(3aR,6S,7aR)-N,N-dimethyl-4-(quinolin-2-ylmethyl)-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyridine-6-carboxamide
CID 97388014
(3aR,5S,7aR)-N-propan-2-yl-1-(quinolin-2-ylmethyl)-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrole-5-carboxamide
CID 97461406
N,N-dimethyl-8-(quinolin-2-ylmethyl)-1-oxa-8-azaspiro[4.5]decane-2-carboxamide
CID 118738786
[3-(Ethoxymethyl)-2-oxa-8-azaspiro[4.5]decan-8-yl]-quinolin-2-ylmethanone
CID 118745208

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).