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

C18H24N2O2 — CID 663619

IUPACN-tert-butyl-2-methyl-N-[(2-oxo-1H-quinolin-3-yl)methyl]propanamide
SMILESCC(C)C(=O)N(Cc1cc2ccccc2[nH]c1=O)C(C)(C)C
InChIInChI=1S/C18H24N2O2/c1-12(2)17(22)20(18(3,4)5)11-14-10-13-8-6-7-9-15(13)19-16(14)21/h6-10,12H,11H2,1-5H3,(H,19,21)
InChIKeyBGZZIOONEDOIOZ-UHFFFAOYSA-N
MW300.40 g/mol
LogP3.31
Rot. Bonds3

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

N-tert-butyl-2-methyl-N-[(2-oxo-1H-quinolin-3-yl)methyl]propanamide (PubChem CID 663619) has the molecular formula C18H24N2O2 and a molecular weight of 300.40 g/mol. Its IUPAC name is N-tert-butyl-2-methyl-N-[(2-oxo-1H-quinolin-3-yl)methyl]propanamide.

Molecular Properties

Compound NameN-tert-butyl-2-methyl-N-[(2-oxo-1H-quinolin-3-yl)methyl]propanamide
PubChem CID663619
Molecular FormulaC18H24N2O2
Molecular Weight300.40 g/mol
Exact Mass300.18
IUPAC NameN-tert-butyl-2-methyl-N-[(2-oxo-1H-quinolin-3-yl)methyl]propanamide
SMILESCC(C)C(=O)N(Cc1cc2ccccc2[nH]c1=O)C(C)(C)C
InChIInChI=1S/C18H24N2O2/c1-12(2)17(22)20(18(3,4)5)11-14-10-13-8-6-7-9-15(13)19-16(14)21/h6-10,12H,11H2,1-5H3,(H,19,21)
InChIKeyBGZZIOONEDOIOZ-UHFFFAOYSA-N
XLogP3.31
TPSA53.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.40
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-Hydroxyquinoline
CID 6038
Crotamiton
CID 2883
4-Methylquinolin-2-ol
CID 69088
N-Ethyl-o-crotonotoluidide
CID 688020
1-Methyl-2-quinolone
CID 11820
Propanamide, N-(1-ethyl-1,2,3,4-tetrahydro-2,2,4-trimethyl-7-quinolinyl)-
CID 112580
1,4-Dimethyl-2-quinolone
CID 97252
N-(2-Hydroxy-quinolin-4-ylmethyl)-N-phenyl-propionamide
CID 943545
Isonixin
CID 68767
6-Amino-1,3-dimethyl-1,2-dihydroquinolin-2-one
CID 83636605
3-methylquinolin-2(1H)-one
CID 440987
Iferanserin
CID 6445539

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-methyl-N-[(2-oxo-1H-quinolin-3-yl)methyl]propanamide?
The IUPAC name of N-tert-butyl-2-methyl-N-[(2-oxo-1H-quinolin-3-yl)methyl]propanamide (CID 663619) is N-tert-butyl-2-methyl-N-[(2-oxo-1H-quinolin-3-yl)methyl]propanamide.
What is the SMILES notation for N-tert-butyl-2-methyl-N-[(2-oxo-1H-quinolin-3-yl)methyl]propanamide?
The canonical SMILES for N-tert-butyl-2-methyl-N-[(2-oxo-1H-quinolin-3-yl)methyl]propanamide is CC(C)C(=O)N(Cc1cc2ccccc2[nH]c1=O)C(C)(C)C.
What is the InChIKey of N-tert-butyl-2-methyl-N-[(2-oxo-1H-quinolin-3-yl)methyl]propanamide?
The InChIKey is BGZZIOONEDOIOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O2/c1-12(2)17(22)20(18(3,4)5)11-14-10-13-8-6-7-9-15(13)19-16(14)21/h6-10,12H,11H2,1-5H3,(H,19,21).
What are the key properties of N-tert-butyl-2-methyl-N-[(2-oxo-1H-quinolin-3-yl)methyl]propanamide?
N-tert-butyl-2-methyl-N-[(2-oxo-1H-quinolin-3-yl)methyl]propanamide has a molecular weight of 300.40 g/mol, XLogP of 3.31, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-methyl-N-[(2-oxo-1H-quinolin-3-yl)methyl]propanamide is sourced from PubChem (CID 663619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).