N-[(1R)-1-(2-acetamidoquinolin-4-yl)ethyl]-2-methylbenzamide

C21H21N3O2 — CID 171792268

IUPACN-[(1R)-1-(2-acetamidoquinolin-4-yl)ethyl]-2-methylbenzamide
SMILESCC(=O)Nc1cc([C@@H](C)NC(=O)c2ccccc2C)c2ccccc2n1
InChIInChI=1S/C21H21N3O2/c1-13-8-4-5-9-16(13)21(26)22-14(2)18-12-20(23-15(3)25)24-19-11-7-6-10-17(18)19/h4-12,14H,1-3H3,(H,22,26)(H,23,24,25)/t14-/m1/s1
InChIKeyOTFRSLPXLULUKT-CQSZACIVSA-N
MW347.42 g/mol
LogP3.99
Rot. Bonds4

About N-[(1R)-1-(2-acetamidoquinolin-4-yl)ethyl]-2-methylbenzamide

N-[(1R)-1-(2-acetamidoquinolin-4-yl)ethyl]-2-methylbenzamide (PubChem CID 171792268) has the molecular formula C21H21N3O2 and a molecular weight of 347.42 g/mol. Its IUPAC name is N-[(1R)-1-(2-acetamidoquinolin-4-yl)ethyl]-2-methylbenzamide.

Molecular Properties

Compound NameN-[(1R)-1-(2-acetamidoquinolin-4-yl)ethyl]-2-methylbenzamide
PubChem CID171792268
Molecular FormulaC21H21N3O2
Molecular Weight347.42 g/mol
Exact Mass347.16
IUPAC NameN-[(1R)-1-(2-acetamidoquinolin-4-yl)ethyl]-2-methylbenzamide
SMILESCC(=O)Nc1cc([C@@H](C)NC(=O)c2ccccc2C)c2ccccc2n1
InChIInChI=1S/C21H21N3O2/c1-13-8-4-5-9-16(13)21(26)22-14(2)18-12-20(23-15(3)25)24-19-11-7-6-10-17(18)19/h4-12,14H,1-3H3,(H,22,26)(H,23,24,25)/t14-/m1/s1
InChIKeyOTFRSLPXLULUKT-CQSZACIVSA-N
XLogP3.99
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 53.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1R)-1-(2-chloroquinolin-4-yl)ethyl]-2-methylbenzamide
CID 171792284
2-methyl-N-[(1R)-1-[2-[(1-methylpyrazol-3-yl)amino]quinolin-4-yl]ethyl]benzamide
CID 171792159
2-methyl-N-[(1R)-1-[2-(oxetan-3-ylmethoxy)quinolin-4-yl]ethyl]benzamide
CID 171792039
N-[(1R)-1-(2,4-dimethylphenyl)ethyl]-2-methylbenzamide
CID 28633869
N-[1-(2-chloroquinolin-4-yl)ethyl]-5-cyano-2-methylbenzamide
CID 171792372
2-methyl-N-[(1R)-1-phenylethyl]benzamide
CID 681346
2-methyl-N-(2-methylquinolin-4-yl)benzamide
CID 3291896
5-cyano-2-methyl-N-[(1R)-1-[2-(triazol-1-yl)quinolin-4-yl]ethyl]benzamide
CID 171792139
N-[1-(2-methoxyphenyl)ethyl]-2-methylquinoline-4-carboxamide
CID 4883107
N-[1-(4-methylquinolin-2-yl)ethyl]acetamide
CID 175073880
2-methyl-N-[(1R)-1-naphthalen-1-ylethyl]-5-phenylbenzamide
CID 165115788
ethane;2-methyl-N-propan-2-ylbenzamide
CID 164554205

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(2-acetamidoquinolin-4-yl)ethyl]-2-methylbenzamide?
The IUPAC name of N-[(1R)-1-(2-acetamidoquinolin-4-yl)ethyl]-2-methylbenzamide (CID 171792268) is N-[(1R)-1-(2-acetamidoquinolin-4-yl)ethyl]-2-methylbenzamide.
What is the SMILES notation for N-[(1R)-1-(2-acetamidoquinolin-4-yl)ethyl]-2-methylbenzamide?
The canonical SMILES for N-[(1R)-1-(2-acetamidoquinolin-4-yl)ethyl]-2-methylbenzamide is CC(=O)Nc1cc([C@@H](C)NC(=O)c2ccccc2C)c2ccccc2n1.
What is the InChIKey of N-[(1R)-1-(2-acetamidoquinolin-4-yl)ethyl]-2-methylbenzamide?
The InChIKey is OTFRSLPXLULUKT-CQSZACIVSA-N. The full InChI is InChI=1S/C21H21N3O2/c1-13-8-4-5-9-16(13)21(26)22-14(2)18-12-20(23-15(3)25)24-19-11-7-6-10-17(18)19/h4-12,14H,1-3H3,(H,22,26)(H,23,24,25)/t14-/m1/s1.
What are the key properties of N-[(1R)-1-(2-acetamidoquinolin-4-yl)ethyl]-2-methylbenzamide?
N-[(1R)-1-(2-acetamidoquinolin-4-yl)ethyl]-2-methylbenzamide has a molecular weight of 347.42 g/mol, XLogP of 3.99, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(2-acetamidoquinolin-4-yl)ethyl]-2-methylbenzamide is sourced from PubChem (CID 171792268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).