N-[(1R)-1-(4-methoxyphenyl)-2-quinolin-2-ylethyl]acetamide

C20H20N2O2 — CID 130474047

IUPACN-[(1R)-1-(4-methoxyphenyl)-2-quinolin-2-ylethyl]acetamide
SMILESCOc1ccc([C@@H](Cc2ccc3ccccc3n2)NC(C)=O)cc1
InChIInChI=1S/C20H20N2O2/c1-14(23)21-20(16-8-11-18(24-2)12-9-16)13-17-10-7-15-5-3-4-6-19(15)22-17/h3-12,20H,13H2,1-2H3,(H,21,23)/t20-/m1/s1
InChIKeyZBCKYDKHFVEKOG-HXUWFJFHSA-N
MW320.39 g/mol
LogP3.66
Rot. Bonds5

About N-[(1R)-1-(4-methoxyphenyl)-2-quinolin-2-ylethyl]acetamide

N-[(1R)-1-(4-methoxyphenyl)-2-quinolin-2-ylethyl]acetamide (PubChem CID 130474047) has the molecular formula C20H20N2O2 and a molecular weight of 320.39 g/mol. Its IUPAC name is N-[(1R)-1-(4-methoxyphenyl)-2-quinolin-2-ylethyl]acetamide.

Molecular Properties

Compound NameN-[(1R)-1-(4-methoxyphenyl)-2-quinolin-2-ylethyl]acetamide
PubChem CID130474047
Molecular FormulaC20H20N2O2
Molecular Weight320.39 g/mol
Exact Mass320.15
IUPAC NameN-[(1R)-1-(4-methoxyphenyl)-2-quinolin-2-ylethyl]acetamide
SMILESCOc1ccc([C@@H](Cc2ccc3ccccc3n2)NC(C)=O)cc1
InChIInChI=1S/C20H20N2O2/c1-14(23)21-20(16-8-11-18(24-2)12-9-16)13-17-10-7-15-5-3-4-6-19(15)22-17/h3-12,20H,13H2,1-2H3,(H,21,23)/t20-/m1/s1
InChIKeyZBCKYDKHFVEKOG-HXUWFJFHSA-N
XLogP3.66
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(3,5-dimethylphenyl)-2-quinolin-2-ylethyl]acetamide
CID 139579549
1-(4-methoxyphenyl)-2-quinolin-2-ylethanamine
CID 43118775
2-methylpropyl N-(1-phenyl-2-quinolin-2-ylethyl)carbamate
CID 175293953
N-(1-phenyl-3-quinolin-2-ylpropan-2-yl)acetamide
CID 130455232
N-[2-(4-methoxyphenyl)sulfanyl-1-phenylethyl]acetamide
CID 15686336
N-[(1R)-1-(4-methoxyphenyl)propyl]acetamide
CID 10774699
benzyl N-(1-phenyl-2-quinolin-2-ylethyl)carbamate
CID 175293947
2-acetamido-2-(4-methoxyphenyl)ethanesulfonic acid
CID 11380284
N-[(1S)-2-(4-fluorophenyl)-1-(4-methoxyphenyl)ethyl]acetamide
CID 94818625
N-[3-hydroxy-1-(4-methoxyphenyl)-3,3-diphenylpropyl]acetamide
CID 26745
N-[(1S)-1-(6-methoxyquinolin-2-yl)-2-phenylethyl]acetamide
CID 138978300
(3S)-3-acetamido-3-(4-methoxyphenyl)-N-pyridin-2-ylpropanamide
CID 29466251

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(4-methoxyphenyl)-2-quinolin-2-ylethyl]acetamide?
The IUPAC name of N-[(1R)-1-(4-methoxyphenyl)-2-quinolin-2-ylethyl]acetamide (CID 130474047) is N-[(1R)-1-(4-methoxyphenyl)-2-quinolin-2-ylethyl]acetamide.
What is the SMILES notation for N-[(1R)-1-(4-methoxyphenyl)-2-quinolin-2-ylethyl]acetamide?
The canonical SMILES for N-[(1R)-1-(4-methoxyphenyl)-2-quinolin-2-ylethyl]acetamide is COc1ccc([C@@H](Cc2ccc3ccccc3n2)NC(C)=O)cc1.
What is the InChIKey of N-[(1R)-1-(4-methoxyphenyl)-2-quinolin-2-ylethyl]acetamide?
The InChIKey is ZBCKYDKHFVEKOG-HXUWFJFHSA-N. The full InChI is InChI=1S/C20H20N2O2/c1-14(23)21-20(16-8-11-18(24-2)12-9-16)13-17-10-7-15-5-3-4-6-19(15)22-17/h3-12,20H,13H2,1-2H3,(H,21,23)/t20-/m1/s1.
What are the key properties of N-[(1R)-1-(4-methoxyphenyl)-2-quinolin-2-ylethyl]acetamide?
N-[(1R)-1-(4-methoxyphenyl)-2-quinolin-2-ylethyl]acetamide has a molecular weight of 320.39 g/mol, XLogP of 3.66, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(4-methoxyphenyl)-2-quinolin-2-ylethyl]acetamide is sourced from PubChem (CID 130474047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).