2-ethyl-N-(quinolin-3-ylmethyl)butanamide

C16H20N2O — CID 110733756

IUPAC2-ethyl-N-(quinolin-3-ylmethyl)butanamide
SMILESCCC(CC)C(=O)NCc1cnc2ccccc2c1
InChIInChI=1S/C16H20N2O/c1-3-13(4-2)16(19)18-11-12-9-14-7-5-6-8-15(14)17-10-12/h5-10,13H,3-4,11H2,1-2H3,(H,18,19)
InChIKeyWWBOVFKQEVXYAW-UHFFFAOYSA-N
MW256.35 g/mol
LogP3.29
Rot. Bonds5

About 2-ethyl-N-(quinolin-3-ylmethyl)butanamide

2-ethyl-N-(quinolin-3-ylmethyl)butanamide (PubChem CID 110733756) has the molecular formula C16H20N2O and a molecular weight of 256.35 g/mol. Its IUPAC name is 2-ethyl-N-(quinolin-3-ylmethyl)butanamide.

Molecular Properties

Compound Name2-ethyl-N-(quinolin-3-ylmethyl)butanamide
PubChem CID110733756
Molecular FormulaC16H20N2O
Molecular Weight256.35 g/mol
Exact Mass256.16
IUPAC Name2-ethyl-N-(quinolin-3-ylmethyl)butanamide
SMILESCCC(CC)C(=O)NCc1cnc2ccccc2c1
InChIInChI=1S/C16H20N2O/c1-3-13(4-2)16(19)18-11-12-9-14-7-5-6-8-15(14)17-10-12/h5-10,13H,3-4,11H2,1-2H3,(H,18,19)
InChIKeyWWBOVFKQEVXYAW-UHFFFAOYSA-N
XLogP3.29
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-N-(quinolin-3-ylmethyl)propanamide
CID 110733747
2-(2-fluorophenyl)-N-(quinolin-3-ylmethyl)acetamide
CID 110733805
N-(quinolin-3-ylmethyl)ethanamine
CID 16640553
2-(3-methylphenyl)-N-(quinolin-3-ylmethyl)acetamide
CID 110733803
3-hydroxy-N-(quinolin-3-ylmethyl)benzamide
CID 110472397
2,3-dimethyl-N-(quinolin-3-ylmethyl)quinoxaline-6-carboxamide
CID 110745511
1-(quinolin-3-ylmethylamino)ethanol
CID 143559456
molecular hydrogen;N-(quinolin-3-ylmethyl)butan-2-amine
CID 142196706
N-(1,3-benzothiazol-2-ylmethyl)-2-ethylbutanamide
CID 47098657
2-(2-methylphenoxy)-N-(quinolin-3-ylmethyl)acetamide
CID 110733809
2-ethyl-N-(quinoxalin-6-ylmethyl)butanamide
CID 110672201
1-methyl-1-(oxan-4-yl)-3-(quinolin-3-ylmethyl)urea
CID 119064073

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-(quinolin-3-ylmethyl)butanamide?
The IUPAC name of 2-ethyl-N-(quinolin-3-ylmethyl)butanamide (CID 110733756) is 2-ethyl-N-(quinolin-3-ylmethyl)butanamide.
What is the SMILES notation for 2-ethyl-N-(quinolin-3-ylmethyl)butanamide?
The canonical SMILES for 2-ethyl-N-(quinolin-3-ylmethyl)butanamide is CCC(CC)C(=O)NCc1cnc2ccccc2c1.
What is the InChIKey of 2-ethyl-N-(quinolin-3-ylmethyl)butanamide?
The InChIKey is WWBOVFKQEVXYAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O/c1-3-13(4-2)16(19)18-11-12-9-14-7-5-6-8-15(14)17-10-12/h5-10,13H,3-4,11H2,1-2H3,(H,18,19).
What are the key properties of 2-ethyl-N-(quinolin-3-ylmethyl)butanamide?
2-ethyl-N-(quinolin-3-ylmethyl)butanamide has a molecular weight of 256.35 g/mol, XLogP of 3.29, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-(quinolin-3-ylmethyl)butanamide is sourced from PubChem (CID 110733756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).