3-methyl-N-[2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]butanamide

C17H26N2O — CID 16837019

IUPAC3-methyl-N-[2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]butanamide
SMILESCC(C)CC(=O)NCCc1ccc2c(c1)CCCN2C
InChIInChI=1S/C17H26N2O/c1-13(2)11-17(20)18-9-8-14-6-7-16-15(12-14)5-4-10-19(16)3/h6-7,12-13H,4-5,8-11H2,1-3H3,(H,18,20)
InChIKeyKPLLGAYLQDCMHJ-UHFFFAOYSA-N
MW274.41 g/mol
LogP2.77
Rot. Bonds5

About 3-methyl-N-[2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]butanamide

3-methyl-N-[2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]butanamide (PubChem CID 16837019) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is 3-methyl-N-[2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]butanamide.

Molecular Properties

Compound Name3-methyl-N-[2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]butanamide
PubChem CID16837019
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC Name3-methyl-N-[2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]butanamide
SMILESCC(C)CC(=O)NCCc1ccc2c(c1)CCCN2C
InChIInChI=1S/C17H26N2O/c1-13(2)11-17(20)18-9-8-14-6-7-16-15(12-14)5-4-10-19(16)3/h6-7,12-13H,4-5,8-11H2,1-3H3,(H,18,20)
InChIKeyKPLLGAYLQDCMHJ-UHFFFAOYSA-N
XLogP2.77
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]butanamide?
The IUPAC name of 3-methyl-N-[2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]butanamide (CID 16837019) is 3-methyl-N-[2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]butanamide.
What is the SMILES notation for 3-methyl-N-[2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]butanamide?
The canonical SMILES for 3-methyl-N-[2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]butanamide is CC(C)CC(=O)NCCc1ccc2c(c1)CCCN2C.
What is the InChIKey of 3-methyl-N-[2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]butanamide?
The InChIKey is KPLLGAYLQDCMHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O/c1-13(2)11-17(20)18-9-8-14-6-7-16-15(12-14)5-4-10-19(16)3/h6-7,12-13H,4-5,8-11H2,1-3H3,(H,18,20).
What are the key properties of 3-methyl-N-[2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]butanamide?
3-methyl-N-[2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]butanamide has a molecular weight of 274.41 g/mol, XLogP of 2.77, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]butanamide is sourced from PubChem (CID 16837019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).