3,3-dimethyl-N-(quinolin-2-ylmethyl)butanamide

C16H20N2O — CID 110734097

IUPAC3,3-dimethyl-N-(quinolin-2-ylmethyl)butanamide
SMILESCC(C)(C)CC(=O)NCc1ccc2ccccc2n1
InChIInChI=1S/C16H20N2O/c1-16(2,3)10-15(19)17-11-13-9-8-12-6-4-5-7-14(12)18-13/h4-9H,10-11H2,1-3H3,(H,17,19)
InChIKeyDOZWKKMIFGIBKA-UHFFFAOYSA-N
MW256.35 g/mol
LogP3.29
Rot. Bonds3

About 3,3-dimethyl-N-(quinolin-2-ylmethyl)butanamide

3,3-dimethyl-N-(quinolin-2-ylmethyl)butanamide (PubChem CID 110734097) has the molecular formula C16H20N2O and a molecular weight of 256.35 g/mol. Its IUPAC name is 3,3-dimethyl-N-(quinolin-2-ylmethyl)butanamide.

Molecular Properties

Compound Name3,3-dimethyl-N-(quinolin-2-ylmethyl)butanamide
PubChem CID110734097
Molecular FormulaC16H20N2O
Molecular Weight256.35 g/mol
Exact Mass256.16
IUPAC Name3,3-dimethyl-N-(quinolin-2-ylmethyl)butanamide
SMILESCC(C)(C)CC(=O)NCc1ccc2ccccc2n1
InChIInChI=1S/C16H20N2O/c1-16(2,3)10-15(19)17-11-13-9-8-12-6-4-5-7-14(12)18-13/h4-9H,10-11H2,1-3H3,(H,17,19)
InChIKeyDOZWKKMIFGIBKA-UHFFFAOYSA-N
XLogP3.29
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
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

3-methylsulfanyl-N-(quinolin-2-ylmethyl)propanamide
CID 77090150
quinolin-2-ylmethylcarbamothioic S-acid
CID 135200378
N-(1,3-benzoxazol-2-ylmethyl)-3,3-dimethylbutanamide
CID 110711685
N-(quinolin-2-ylmethyl)-3-thiophen-2-ylpropanamide
CID 110734093
5,5-dimethyl-2-(quinolin-2-ylmethylamino)hexanoic acid
CID 175558784
2-(cyclopropylmethylsulfanyl)-N-(quinolin-2-ylmethyl)acetamide
CID 90649184
3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(quinolin-2-ylmethyl)propanamide
CID 166207351
N-[(3R)-3-cyano-2-oxo-3-quinolin-2-ylpropyl]-3,3-dimethylbutanamide
CID 94800890
3-(2-ethylimidazol-1-yl)-N-(quinolin-2-ylmethyl)propanamide
CID 131889023
3,3-dimethyl-N-[(2-methylphenyl)methyl]butanamide
CID 110755430
4-[ethyl(methyl)amino]-N-(quinolin-2-ylmethyl)benzamide
CID 71936715
3-methoxy-N-(quinolin-2-ylmethyl)benzamide
CID 110734068

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-N-(quinolin-2-ylmethyl)butanamide?
The IUPAC name of 3,3-dimethyl-N-(quinolin-2-ylmethyl)butanamide (CID 110734097) is 3,3-dimethyl-N-(quinolin-2-ylmethyl)butanamide.
What is the SMILES notation for 3,3-dimethyl-N-(quinolin-2-ylmethyl)butanamide?
The canonical SMILES for 3,3-dimethyl-N-(quinolin-2-ylmethyl)butanamide is CC(C)(C)CC(=O)NCc1ccc2ccccc2n1.
What is the InChIKey of 3,3-dimethyl-N-(quinolin-2-ylmethyl)butanamide?
The InChIKey is DOZWKKMIFGIBKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O/c1-16(2,3)10-15(19)17-11-13-9-8-12-6-4-5-7-14(12)18-13/h4-9H,10-11H2,1-3H3,(H,17,19).
What are the key properties of 3,3-dimethyl-N-(quinolin-2-ylmethyl)butanamide?
3,3-dimethyl-N-(quinolin-2-ylmethyl)butanamide has a molecular weight of 256.35 g/mol, XLogP of 3.29, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-N-(quinolin-2-ylmethyl)butanamide is sourced from PubChem (CID 110734097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).