2,2-dimethyl-N-(quinolin-6-ylmethyl)propanamide

C15H18N2O — CID 110470774

IUPAC2,2-dimethyl-N-(quinolin-6-ylmethyl)propanamide
SMILESCC(C)(C)C(=O)NCc1ccc2ncccc2c1
InChIInChI=1S/C15H18N2O/c1-15(2,3)14(18)17-10-11-6-7-13-12(9-11)5-4-8-16-13/h4-9H,10H2,1-3H3,(H,17,18)
InChIKeyCPYLZDHTQVJROS-UHFFFAOYSA-N
MW242.32 g/mol
LogP2.90
Rot. Bonds2

About 2,2-dimethyl-N-(quinolin-6-ylmethyl)propanamide

2,2-dimethyl-N-(quinolin-6-ylmethyl)propanamide (PubChem CID 110470774) has the molecular formula C15H18N2O and a molecular weight of 242.32 g/mol. Its IUPAC name is 2,2-dimethyl-N-(quinolin-6-ylmethyl)propanamide.

Molecular Properties

Compound Name2,2-dimethyl-N-(quinolin-6-ylmethyl)propanamide
PubChem CID110470774
Molecular FormulaC15H18N2O
Molecular Weight242.32 g/mol
Exact Mass242.14
IUPAC Name2,2-dimethyl-N-(quinolin-6-ylmethyl)propanamide
SMILESCC(C)(C)C(=O)NCc1ccc2ncccc2c1
InChIInChI=1S/C15H18N2O/c1-15(2,3)14(18)17-10-11-6-7-13-12(9-11)5-4-8-16-13/h4-9H,10H2,1-3H3,(H,17,18)
InChIKeyCPYLZDHTQVJROS-UHFFFAOYSA-N
XLogP2.90
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-N-(quinolin-6-ylmethyl)benzamide
CID 110472091
2,3-dimethyl-3-(quinolin-6-ylmethylamino)butan-2-ol
CID 104881406
N-tert-butyl-2-(quinolin-6-ylmethylamino)propanamide
CID 115595956
2-(hydroxymethyl)-2-(quinolin-6-ylmethylamino)propane-1,3-diol
CID 107850850
3-chloro-2,2-dimethyl-N-(quinolin-6-ylmethyl)propan-1-amine
CID 115363507
2-methyl-N-(quinolin-6-ylmethyl)pentan-2-amine
CID 113234424
2-(quinolin-6-ylmethylamino)benzoic acid
CID 63969915
4-chloro-1-methyl-N-(quinolin-6-ylmethyl)pyrrole-2-carboxamide
CID 154796695
1-[4-[(R)-methylsulfinyl]phenyl]-3-(quinolin-6-ylmethyl)urea
CID 124626677
N-propyl-2-(quinolin-6-ylmethylamino)propanamide
CID 60659073
3,5-dimethyl-N-(quinolin-6-ylmethyl)aniline
CID 28776356
2-ethyl-N-(quinolin-6-ylmethyl)aniline
CID 28521209

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-(quinolin-6-ylmethyl)propanamide?
The IUPAC name of 2,2-dimethyl-N-(quinolin-6-ylmethyl)propanamide (CID 110470774) is 2,2-dimethyl-N-(quinolin-6-ylmethyl)propanamide.
What is the SMILES notation for 2,2-dimethyl-N-(quinolin-6-ylmethyl)propanamide?
The canonical SMILES for 2,2-dimethyl-N-(quinolin-6-ylmethyl)propanamide is CC(C)(C)C(=O)NCc1ccc2ncccc2c1.
What is the InChIKey of 2,2-dimethyl-N-(quinolin-6-ylmethyl)propanamide?
The InChIKey is CPYLZDHTQVJROS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O/c1-15(2,3)14(18)17-10-11-6-7-13-12(9-11)5-4-8-16-13/h4-9H,10H2,1-3H3,(H,17,18).
What are the key properties of 2,2-dimethyl-N-(quinolin-6-ylmethyl)propanamide?
2,2-dimethyl-N-(quinolin-6-ylmethyl)propanamide has a molecular weight of 242.32 g/mol, XLogP of 2.90, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-(quinolin-6-ylmethyl)propanamide is sourced from PubChem (CID 110470774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).