3,3-dimethyl-N-quinolin-5-ylbutanamide

C15H18N2O — CID 24654624

IUPAC3,3-dimethyl-N-quinolin-5-ylbutanamide
SMILESCC(C)(C)CC(=O)Nc1cccc2ncccc12
InChIInChI=1S/C15H18N2O/c1-15(2,3)10-14(18)17-13-8-4-7-12-11(13)6-5-9-16-12/h4-9H,10H2,1-3H3,(H,17,18)
InChIKeyLODYMYONVDLYSH-UHFFFAOYSA-N
MW242.32 g/mol
LogP3.61
Rot. Bonds2

About 3,3-dimethyl-N-quinolin-5-ylbutanamide

3,3-dimethyl-N-quinolin-5-ylbutanamide (PubChem CID 24654624) has the molecular formula C15H18N2O and a molecular weight of 242.32 g/mol. Its IUPAC name is 3,3-dimethyl-N-quinolin-5-ylbutanamide.

Molecular Properties

Compound Name3,3-dimethyl-N-quinolin-5-ylbutanamide
PubChem CID24654624
Molecular FormulaC15H18N2O
Molecular Weight242.32 g/mol
Exact Mass242.14
IUPAC Name3,3-dimethyl-N-quinolin-5-ylbutanamide
SMILESCC(C)(C)CC(=O)Nc1cccc2ncccc12
InChIInChI=1S/C15H18N2O/c1-15(2,3)10-14(18)17-13-8-4-7-12-11(13)6-5-9-16-12/h4-9H,10H2,1-3H3,(H,17,18)
InChIKeyLODYMYONVDLYSH-UHFFFAOYSA-N
XLogP3.61
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 ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-hydroxy-3-phenyl-N-quinolin-5-ylbutanamide
CID 110024307
2,2-dimethyl-N-[2-oxo-2-(quinolin-5-ylamino)ethyl]propanamide
CID 86977886
2-chloro-N-quinolin-5-ylacetamide;hydrochloride
CID 155943918
2-(4-hydroxyphenyl)-N-quinolin-5-ylacetamide
CID 78838145
methyl N-quinolin-5-ylcarbamate
CID 110734012
N-(2,2-dimethylpropyl)quinolin-5-amine
CID 61326156
N-isoquinolin-5-yl-3,3-dimethylbutanamide
CID 29371824
2-(3-fluorophenyl)-N-quinolin-5-ylacetamide
CID 17391782
2-(prop-2-enylamino)-N-quinolin-5-ylacetamide
CID 112723293
2-(2-ethylphenoxy)-N-quinolin-5-ylacetamide
CID 2524325
3-(3,5-dimethylpyrazolidin-4-yl)-N-quinolin-5-ylpropanamide
CID 134067274
N-quinolin-5-yl-2-(3,4,5-trimethoxyphenyl)acetamide
CID 8873348

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-N-quinolin-5-ylbutanamide?
The IUPAC name of 3,3-dimethyl-N-quinolin-5-ylbutanamide (CID 24654624) is 3,3-dimethyl-N-quinolin-5-ylbutanamide.
What is the SMILES notation for 3,3-dimethyl-N-quinolin-5-ylbutanamide?
The canonical SMILES for 3,3-dimethyl-N-quinolin-5-ylbutanamide is CC(C)(C)CC(=O)Nc1cccc2ncccc12.
What is the InChIKey of 3,3-dimethyl-N-quinolin-5-ylbutanamide?
The InChIKey is LODYMYONVDLYSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O/c1-15(2,3)10-14(18)17-13-8-4-7-12-11(13)6-5-9-16-12/h4-9H,10H2,1-3H3,(H,17,18).
What are the key properties of 3,3-dimethyl-N-quinolin-5-ylbutanamide?
3,3-dimethyl-N-quinolin-5-ylbutanamide has a molecular weight of 242.32 g/mol, XLogP of 3.61, 2 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-5-ylbutanamide is sourced from PubChem (CID 24654624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).