N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(2-phenylethyl)acetamide

C21H22N2O2 — CID 855659

IUPACN-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(2-phenylethyl)acetamide
SMILESCC(=O)N(CCc1ccccc1)Cc1cc2cccc(C)c2[nH]c1=O
InChIInChI=1S/C21H22N2O2/c1-15-7-6-10-18-13-19(21(25)22-20(15)18)14-23(16(2)24)12-11-17-8-4-3-5-9-17/h3-10,13H,11-12,14H2,1-2H3,(H,22,25)
InChIKeyPPJDMKBRWGCWDL-UHFFFAOYSA-N
MW334.42 g/mol
LogP3.43
Rot. Bonds5

About N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(2-phenylethyl)acetamide

N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(2-phenylethyl)acetamide (PubChem CID 855659) has the molecular formula C21H22N2O2 and a molecular weight of 334.42 g/mol. Its IUPAC name is N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(2-phenylethyl)acetamide.

Molecular Properties

Compound NameN-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(2-phenylethyl)acetamide
PubChem CID855659
Molecular FormulaC21H22N2O2
Molecular Weight334.42 g/mol
Exact Mass334.17
IUPAC NameN-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(2-phenylethyl)acetamide
SMILESCC(=O)N(CCc1ccccc1)Cc1cc2cccc(C)c2[nH]c1=O
InChIInChI=1S/C21H22N2O2/c1-15-7-6-10-18-13-19(21(25)22-20(15)18)14-23(16(2)24)12-11-17-8-4-3-5-9-17/h3-10,13H,11-12,14H2,1-2H3,(H,22,25)
InChIKeyPPJDMKBRWGCWDL-UHFFFAOYSA-N
XLogP3.43
TPSA53.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-benzyl-1-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]-1-(2-phenylethyl)urea
CID 1467470
N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(2-phenylethyl)acetamide
CID 858519
N-[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(2-phenylethyl)propanamide
CID 1453861
2-methyl-N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-phenylbenzamide
CID 17096505
3-benzyl-1-[2-(dimethylamino)ethyl]-1-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]urea
CID 3194351
1-[2-(3,4-dimethoxyphenyl)ethyl]-3,3-dimethyl-1-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]urea
CID 1459293
3-(4-fluorophenyl)-1-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]-1-[2-(3-methylphenyl)ethyl]urea
CID 1467483
N-tert-butyl-N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]acetamide
CID 941828
N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-phenylfuran-2-carboxamide
CID 1382192
N-butyl-N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]propanamide
CID 2022966
1-benzyl-3-(2-methoxyphenyl)-1-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]urea
CID 1467453
N-cyclohexyl-N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]acetamide
CID 769064

Frequently Asked Questions

What is the IUPAC name of N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(2-phenylethyl)acetamide?
The IUPAC name of N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(2-phenylethyl)acetamide (CID 855659) is N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(2-phenylethyl)acetamide.
What is the SMILES notation for N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(2-phenylethyl)acetamide?
The canonical SMILES for N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(2-phenylethyl)acetamide is CC(=O)N(CCc1ccccc1)Cc1cc2cccc(C)c2[nH]c1=O.
What is the InChIKey of N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(2-phenylethyl)acetamide?
The InChIKey is PPJDMKBRWGCWDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O2/c1-15-7-6-10-18-13-19(21(25)22-20(15)18)14-23(16(2)24)12-11-17-8-4-3-5-9-17/h3-10,13H,11-12,14H2,1-2H3,(H,22,25).
What are the key properties of N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(2-phenylethyl)acetamide?
N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(2-phenylethyl)acetamide has a molecular weight of 334.42 g/mol, XLogP of 3.43, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(2-phenylethyl)acetamide is sourced from PubChem (CID 855659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).