2-ethyl-2,3-dimethyl-N-quinolin-8-ylbutanamide

C17H22N2O — CID 132522019

IUPAC2-ethyl-2,3-dimethyl-N-quinolin-8-ylbutanamide
SMILESCCC(C)(C(=O)Nc1cccc2cccnc12)C(C)C
InChIInChI=1S/C17H22N2O/c1-5-17(4,12(2)3)16(20)19-14-10-6-8-13-9-7-11-18-15(13)14/h6-12H,5H2,1-4H3,(H,19,20)
InChIKeySFVGTIACZQVQHN-UHFFFAOYSA-N
MW270.38 g/mol
LogP4.25
Rot. Bonds4

About 2-ethyl-2,3-dimethyl-N-quinolin-8-ylbutanamide

2-ethyl-2,3-dimethyl-N-quinolin-8-ylbutanamide (PubChem CID 132522019) has the molecular formula C17H22N2O and a molecular weight of 270.38 g/mol. Its IUPAC name is 2-ethyl-2,3-dimethyl-N-quinolin-8-ylbutanamide.

Molecular Properties

Compound Name2-ethyl-2,3-dimethyl-N-quinolin-8-ylbutanamide
PubChem CID132522019
Molecular FormulaC17H22N2O
Molecular Weight270.38 g/mol
Exact Mass270.17
IUPAC Name2-ethyl-2,3-dimethyl-N-quinolin-8-ylbutanamide
SMILESCCC(C)(C(=O)Nc1cccc2cccnc12)C(C)C
InChIInChI=1S/C17H22N2O/c1-5-17(4,12(2)3)16(20)19-14-10-6-8-13-9-7-11-18-15(13)14/h6-12H,5H2,1-4H3,(H,19,20)
InChIKeySFVGTIACZQVQHN-UHFFFAOYSA-N
XLogP4.25
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,2-dimethyl-N-quinolin-8-ylpropanamide;molecular hydrogen
CID 143593011
2,2-dimethyl-N-(2-propan-2-ylphenyl)-N'-quinolin-8-ylpropanediamide
CID 108968465
2,2-dimethyl-N-quinolin-8-ylpent-4-enamide
CID 170781883
2,2-dimethyl-N-quinolin-8-yl-5-tri(propan-2-yl)silylpent-4-ynamide
CID 132918884
[2,2-dimethyl-3-oxo-3-(quinolin-8-ylamino)propyl] acetate
CID 177454092
2,2-dimethyl-5-phenyl-N-quinolin-8-ylpentanamide
CID 132571622
2-[(4-methoxyphenyl)methyl]-2-methyl-N-quinolin-8-ylbutanamide
CID 102136715
2,2-dimethyl-N-[2-oxo-2-(quinolin-8-ylamino)ethyl]propanamide
CID 17424107
2-methyl-2-phenyl-N-quinolin-8-ylheptanamide
CID 102129340
N-(2-methylpropyl)-N'-quinolin-8-yloxamide
CID 47225581
1-(2-hydroxypropyl)-3-quinolin-8-ylurea
CID 47032842
1-(4-hydroxy-2,2-dimethylpentyl)-3-quinolin-8-ylurea
CID 111473382

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2,3-dimethyl-N-quinolin-8-ylbutanamide?
The IUPAC name of 2-ethyl-2,3-dimethyl-N-quinolin-8-ylbutanamide (CID 132522019) is 2-ethyl-2,3-dimethyl-N-quinolin-8-ylbutanamide.
What is the SMILES notation for 2-ethyl-2,3-dimethyl-N-quinolin-8-ylbutanamide?
The canonical SMILES for 2-ethyl-2,3-dimethyl-N-quinolin-8-ylbutanamide is CCC(C)(C(=O)Nc1cccc2cccnc12)C(C)C.
What is the InChIKey of 2-ethyl-2,3-dimethyl-N-quinolin-8-ylbutanamide?
The InChIKey is SFVGTIACZQVQHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O/c1-5-17(4,12(2)3)16(20)19-14-10-6-8-13-9-7-11-18-15(13)14/h6-12H,5H2,1-4H3,(H,19,20).
What are the key properties of 2-ethyl-2,3-dimethyl-N-quinolin-8-ylbutanamide?
2-ethyl-2,3-dimethyl-N-quinolin-8-ylbutanamide has a molecular weight of 270.38 g/mol, XLogP of 4.25, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2,3-dimethyl-N-quinolin-8-ylbutanamide is sourced from PubChem (CID 132522019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).