2,2-dimethyl-N-[2-oxo-2-(quinolin-5-ylamino)ethyl]propanamide

C16H19N3O2 — CID 86977886

IUPAC2,2-dimethyl-N-[2-oxo-2-(quinolin-5-ylamino)ethyl]propanamide
SMILESCC(C)(C)C(=O)NCC(=O)Nc1cccc2ncccc12
InChIInChI=1S/C16H19N3O2/c1-16(2,3)15(21)18-10-14(20)19-13-8-4-7-12-11(13)6-5-9-17-12/h4-9H,10H2,1-3H3,(H,18,21)(H,19,20)
InChIKeyCGUVBZUBDLUNTJ-UHFFFAOYSA-N
MW285.35 g/mol
LogP2.34
Rot. Bonds3

About 2,2-dimethyl-N-[2-oxo-2-(quinolin-5-ylamino)ethyl]propanamide

2,2-dimethyl-N-[2-oxo-2-(quinolin-5-ylamino)ethyl]propanamide (PubChem CID 86977886) has the molecular formula C16H19N3O2 and a molecular weight of 285.35 g/mol. Its IUPAC name is 2,2-dimethyl-N-[2-oxo-2-(quinolin-5-ylamino)ethyl]propanamide.

Molecular Properties

Compound Name2,2-dimethyl-N-[2-oxo-2-(quinolin-5-ylamino)ethyl]propanamide
PubChem CID86977886
Molecular FormulaC16H19N3O2
Molecular Weight285.35 g/mol
Exact Mass285.15
IUPAC Name2,2-dimethyl-N-[2-oxo-2-(quinolin-5-ylamino)ethyl]propanamide
SMILESCC(C)(C)C(=O)NCC(=O)Nc1cccc2ncccc12
InChIInChI=1S/C16H19N3O2/c1-16(2,3)15(21)18-10-14(20)19-13-8-4-7-12-11(13)6-5-9-17-12/h4-9H,10H2,1-3H3,(H,18,21)(H,19,20)
InChIKeyCGUVBZUBDLUNTJ-UHFFFAOYSA-N
XLogP2.34
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3,3-dimethyl-N-quinolin-5-ylbutanamide
CID 24654624
2,2-dimethyl-N-[2-oxo-2-(quinolin-8-ylamino)ethyl]propanamide
CID 17424107
3-hydroxy-3-phenyl-N-quinolin-5-ylbutanamide
CID 110024307
2-chloro-N-quinolin-5-ylacetamide;hydrochloride
CID 155943918
2-(prop-2-enylamino)-N-quinolin-5-ylacetamide
CID 112723293
2-(benzhydrylamino)-N-quinolin-5-ylacetamide
CID 42126505
2-(4-hydroxyphenyl)-N-quinolin-5-ylacetamide
CID 78838145
methyl N-quinolin-5-ylcarbamate
CID 110734012
[2-oxo-2-(quinolin-5-ylamino)ethyl] 3,5-dimethylbenzoate
CID 41352483
3-[[2-(2,2-dimethylpropanoylamino)acetyl]amino]-2-hydroxybenzoic acid
CID 104832910
2-(3-fluorophenyl)-N-quinolin-5-ylacetamide
CID 17391782
N-quinolin-5-yl-2-(3,4,5-trimethoxyphenyl)acetamide
CID 8873348

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-[2-oxo-2-(quinolin-5-ylamino)ethyl]propanamide?
The IUPAC name of 2,2-dimethyl-N-[2-oxo-2-(quinolin-5-ylamino)ethyl]propanamide (CID 86977886) is 2,2-dimethyl-N-[2-oxo-2-(quinolin-5-ylamino)ethyl]propanamide.
What is the SMILES notation for 2,2-dimethyl-N-[2-oxo-2-(quinolin-5-ylamino)ethyl]propanamide?
The canonical SMILES for 2,2-dimethyl-N-[2-oxo-2-(quinolin-5-ylamino)ethyl]propanamide is CC(C)(C)C(=O)NCC(=O)Nc1cccc2ncccc12.
What is the InChIKey of 2,2-dimethyl-N-[2-oxo-2-(quinolin-5-ylamino)ethyl]propanamide?
The InChIKey is CGUVBZUBDLUNTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2/c1-16(2,3)15(21)18-10-14(20)19-13-8-4-7-12-11(13)6-5-9-17-12/h4-9H,10H2,1-3H3,(H,18,21)(H,19,20).
What are the key properties of 2,2-dimethyl-N-[2-oxo-2-(quinolin-5-ylamino)ethyl]propanamide?
2,2-dimethyl-N-[2-oxo-2-(quinolin-5-ylamino)ethyl]propanamide has a molecular weight of 285.35 g/mol, XLogP of 2.34, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-[2-oxo-2-(quinolin-5-ylamino)ethyl]propanamide is sourced from PubChem (CID 86977886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).