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

C17H22N2O2 — CID 941828

IUPACN-tert-butyl-N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]acetamide
SMILESCC(=O)N(Cc1cc2cccc(C)c2[nH]c1=O)C(C)(C)C
InChIInChI=1S/C17H22N2O2/c1-11-7-6-8-13-9-14(16(21)18-15(11)13)10-19(12(2)20)17(3,4)5/h6-9H,10H2,1-5H3,(H,18,21)
InChIKeyCNTZGHXRXSJPMQ-UHFFFAOYSA-N
MW286.38 g/mol
LogP2.98
Rot. Bonds2

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

N-tert-butyl-N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]acetamide (PubChem CID 941828) has the molecular formula C17H22N2O2 and a molecular weight of 286.38 g/mol. Its IUPAC name is N-tert-butyl-N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]acetamide.

Molecular Properties

Compound NameN-tert-butyl-N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]acetamide
PubChem CID941828
Molecular FormulaC17H22N2O2
Molecular Weight286.38 g/mol
Exact Mass286.17
IUPAC NameN-tert-butyl-N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]acetamide
SMILESCC(=O)N(Cc1cc2cccc(C)c2[nH]c1=O)C(C)(C)C
InChIInChI=1S/C17H22N2O2/c1-11-7-6-8-13-9-14(16(21)18-15(11)13)10-19(12(2)20)17(3,4)5/h6-9H,10H2,1-5H3,(H,18,21)
InChIKeyCNTZGHXRXSJPMQ-UHFFFAOYSA-N
XLogP2.98
TPSA53.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-cyclohexyl-N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]acetamide
CID 769064
2,2-dimethyl-N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(2-methylphenyl)propanamide
CID 2010254
N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(2-phenylethyl)acetamide
CID 855659
3-ethyl-8-methyl-1H-quinolin-2-one
CID 143939354
2-methoxy-N-methyl-N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]acetamide
CID 1425529
4-tert-butyl-N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-propan-2-ylbenzamide
CID 1401134
N-tert-butyl-3-(8-methyl-2-oxo-1H-quinolin-3-yl)propanamide
CID 110331121
2-methyl-N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-phenylbenzamide
CID 17096505
N-butyl-N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]propanamide
CID 2022966
3-(ethylaminomethyl)-8-methyl-1H-quinolin-2-one
CID 23009276
2,2,2-trifluoro-N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 1445627
8-methyl-3-(methylaminomethyl)-1H-quinolin-2-one
CID 23009265

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]acetamide?
The IUPAC name of N-tert-butyl-N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]acetamide (CID 941828) is N-tert-butyl-N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]acetamide.
What is the SMILES notation for N-tert-butyl-N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]acetamide?
The canonical SMILES for N-tert-butyl-N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]acetamide is CC(=O)N(Cc1cc2cccc(C)c2[nH]c1=O)C(C)(C)C.
What is the InChIKey of N-tert-butyl-N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]acetamide?
The InChIKey is CNTZGHXRXSJPMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O2/c1-11-7-6-8-13-9-14(16(21)18-15(11)13)10-19(12(2)20)17(3,4)5/h6-9H,10H2,1-5H3,(H,18,21).
What are the key properties of N-tert-butyl-N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]acetamide?
N-tert-butyl-N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]acetamide has a molecular weight of 286.38 g/mol, XLogP of 2.98, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]acetamide is sourced from PubChem (CID 941828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).