2-[(4-methoxyphenyl)methyl]-2-methyl-N-quinolin-8-ylbutanamide

C22H24N2O2 — CID 102136715

IUPAC2-[(4-methoxyphenyl)methyl]-2-methyl-N-quinolin-8-ylbutanamide
SMILESCCC(C)(Cc1ccc(OC)cc1)C(=O)Nc1cccc2cccnc12
InChIInChI=1S/C22H24N2O2/c1-4-22(2,15-16-10-12-18(26-3)13-11-16)21(25)24-19-9-5-7-17-8-6-14-23-20(17)19/h5-14H,4,15H2,1-3H3,(H,24,25)
InChIKeyFBMKNNYTIWSHNT-UHFFFAOYSA-N
MW348.45 g/mol
LogP4.84
Rot. Bonds6

About 2-[(4-methoxyphenyl)methyl]-2-methyl-N-quinolin-8-ylbutanamide

2-[(4-methoxyphenyl)methyl]-2-methyl-N-quinolin-8-ylbutanamide (PubChem CID 102136715) has the molecular formula C22H24N2O2 and a molecular weight of 348.45 g/mol. Its IUPAC name is 2-[(4-methoxyphenyl)methyl]-2-methyl-N-quinolin-8-ylbutanamide.

Molecular Properties

Compound Name2-[(4-methoxyphenyl)methyl]-2-methyl-N-quinolin-8-ylbutanamide
PubChem CID102136715
Molecular FormulaC22H24N2O2
Molecular Weight348.45 g/mol
Exact Mass348.18
IUPAC Name2-[(4-methoxyphenyl)methyl]-2-methyl-N-quinolin-8-ylbutanamide
SMILESCCC(C)(Cc1ccc(OC)cc1)C(=O)Nc1cccc2cccnc12
InChIInChI=1S/C22H24N2O2/c1-4-22(2,15-16-10-12-18(26-3)13-11-16)21(25)24-19-9-5-7-17-8-6-14-23-20(17)19/h5-14H,4,15H2,1-3H3,(H,24,25)
InChIKeyFBMKNNYTIWSHNT-UHFFFAOYSA-N
XLogP4.84
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-benzyl-3-(4-methoxyphenyl)-2-[(3-methoxyphenyl)methyl]-N-quinolin-8-ylpropanamide
CID 102136704
N-[(4-methoxyphenyl)methyl]-N'-quinolin-8-yloxamide
CID 108508241
2-ethyl-2,3-dimethyl-N-quinolin-8-ylbutanamide
CID 132522019
2-[4-[(2-methylpropan-2-yl)oxy]phenyl]-N-quinolin-8-ylacetamide
CID 110437464
[2,2-dimethyl-3-oxo-3-(quinolin-8-ylamino)propyl] acetate
CID 177454092
2,2-dimethyl-N-quinolin-8-ylpropanamide;molecular hydrogen
CID 143593011
2-(4-methoxyphenyl)-N-[4-(quinolin-8-ylamino)phenyl]acetamide
CID 112989310
N-(4-methoxyphenyl)-2-[(R)-[2-oxo-2-(quinolin-8-ylamino)ethyl]sulfinyl]acetamide
CID 51552903
2-[(4-methoxyphenyl)methyl-methylsulfonylamino]-N-quinolin-8-ylacetamide
CID 113151329
2,6-bis(4-methoxyphenyl)-N-quinolin-8-ylbenzamide
CID 139200312
4-methoxy-N-(quinolin-8-ylcarbamothioyl)benzamide
CID 952487
2,2-dimethyl-N-quinolin-8-ylpent-4-enamide
CID 170781883

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methoxyphenyl)methyl]-2-methyl-N-quinolin-8-ylbutanamide?
The IUPAC name of 2-[(4-methoxyphenyl)methyl]-2-methyl-N-quinolin-8-ylbutanamide (CID 102136715) is 2-[(4-methoxyphenyl)methyl]-2-methyl-N-quinolin-8-ylbutanamide.
What is the SMILES notation for 2-[(4-methoxyphenyl)methyl]-2-methyl-N-quinolin-8-ylbutanamide?
The canonical SMILES for 2-[(4-methoxyphenyl)methyl]-2-methyl-N-quinolin-8-ylbutanamide is CCC(C)(Cc1ccc(OC)cc1)C(=O)Nc1cccc2cccnc12.
What is the InChIKey of 2-[(4-methoxyphenyl)methyl]-2-methyl-N-quinolin-8-ylbutanamide?
The InChIKey is FBMKNNYTIWSHNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O2/c1-4-22(2,15-16-10-12-18(26-3)13-11-16)21(25)24-19-9-5-7-17-8-6-14-23-20(17)19/h5-14H,4,15H2,1-3H3,(H,24,25).
What are the key properties of 2-[(4-methoxyphenyl)methyl]-2-methyl-N-quinolin-8-ylbutanamide?
2-[(4-methoxyphenyl)methyl]-2-methyl-N-quinolin-8-ylbutanamide has a molecular weight of 348.45 g/mol, XLogP of 4.84, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methoxyphenyl)methyl]-2-methyl-N-quinolin-8-ylbutanamide is sourced from PubChem (CID 102136715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).