N-methyl-N-(2-methyl-3-oxobutan-2-yl)-1,2,3,4-tetrahydroquinoline-2-carboxamide

C16H22N2O2 — CID 54070703

IUPACN-methyl-N-(2-methyl-3-oxobutan-2-yl)-1,2,3,4-tetrahydroquinoline-2-carboxamide
SMILESCC(=O)C(C)(C)N(C)C(=O)C1CCc2ccccc2N1
InChIInChI=1S/C16H22N2O2/c1-11(19)16(2,3)18(4)15(20)14-10-9-12-7-5-6-8-13(12)17-14/h5-8,14,17H,9-10H2,1-4H3
InChIKeyMGFOQWCVMTYVPM-UHFFFAOYSA-N
MW274.36 g/mol
LogP2.24
Rot. Bonds3

About N-methyl-N-(2-methyl-3-oxobutan-2-yl)-1,2,3,4-tetrahydroquinoline-2-carboxamide

N-methyl-N-(2-methyl-3-oxobutan-2-yl)-1,2,3,4-tetrahydroquinoline-2-carboxamide (PubChem CID 54070703) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is N-methyl-N-(2-methyl-3-oxobutan-2-yl)-1,2,3,4-tetrahydroquinoline-2-carboxamide.

Molecular Properties

Compound NameN-methyl-N-(2-methyl-3-oxobutan-2-yl)-1,2,3,4-tetrahydroquinoline-2-carboxamide
PubChem CID54070703
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC NameN-methyl-N-(2-methyl-3-oxobutan-2-yl)-1,2,3,4-tetrahydroquinoline-2-carboxamide
SMILESCC(=O)C(C)(C)N(C)C(=O)C1CCc2ccccc2N1
InChIInChI=1S/C16H22N2O2/c1-11(19)16(2,3)18(4)15(20)14-10-9-12-7-5-6-8-13(12)17-14/h5-8,14,17H,9-10H2,1-4H3
InChIKeyMGFOQWCVMTYVPM-UHFFFAOYSA-N
XLogP2.24
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(2-methyl-3-oxobutan-2-yl)-1,2,3,4-tetrahydroquinoline-2-carboxamide?
The IUPAC name of N-methyl-N-(2-methyl-3-oxobutan-2-yl)-1,2,3,4-tetrahydroquinoline-2-carboxamide (CID 54070703) is N-methyl-N-(2-methyl-3-oxobutan-2-yl)-1,2,3,4-tetrahydroquinoline-2-carboxamide.
What is the SMILES notation for N-methyl-N-(2-methyl-3-oxobutan-2-yl)-1,2,3,4-tetrahydroquinoline-2-carboxamide?
The canonical SMILES for N-methyl-N-(2-methyl-3-oxobutan-2-yl)-1,2,3,4-tetrahydroquinoline-2-carboxamide is CC(=O)C(C)(C)N(C)C(=O)C1CCc2ccccc2N1.
What is the InChIKey of N-methyl-N-(2-methyl-3-oxobutan-2-yl)-1,2,3,4-tetrahydroquinoline-2-carboxamide?
The InChIKey is MGFOQWCVMTYVPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2/c1-11(19)16(2,3)18(4)15(20)14-10-9-12-7-5-6-8-13(12)17-14/h5-8,14,17H,9-10H2,1-4H3.
What are the key properties of N-methyl-N-(2-methyl-3-oxobutan-2-yl)-1,2,3,4-tetrahydroquinoline-2-carboxamide?
N-methyl-N-(2-methyl-3-oxobutan-2-yl)-1,2,3,4-tetrahydroquinoline-2-carboxamide has a molecular weight of 274.36 g/mol, XLogP of 2.24, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(2-methyl-3-oxobutan-2-yl)-1,2,3,4-tetrahydroquinoline-2-carboxamide is sourced from PubChem (CID 54070703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).