2,2-dimethyl-N-[5-[2-(4-methylphenyl)ethenyl]quinolin-8-yl]propanamide

C23H24N2O — CID 141483605

IUPAC2,2-dimethyl-N-[5-[2-(4-methylphenyl)ethenyl]quinolin-8-yl]propanamide
SMILESCc1ccc(C=Cc2ccc(NC(=O)C(C)(C)C)c3ncccc23)cc1
InChIInChI=1S/C23H24N2O/c1-16-7-9-17(10-8-16)11-12-18-13-14-20(25-22(26)23(2,3)4)21-19(18)6-5-15-24-21/h5-15H,1-4H3,(H,25,26)
InChIKeyVMZFODZKLJKHQH-UHFFFAOYSA-N
MW344.46 g/mol
LogP5.70
Rot. Bonds3

About 2,2-dimethyl-N-[5-[2-(4-methylphenyl)ethenyl]quinolin-8-yl]propanamide

2,2-dimethyl-N-[5-[2-(4-methylphenyl)ethenyl]quinolin-8-yl]propanamide (PubChem CID 141483605) has the molecular formula C23H24N2O and a molecular weight of 344.46 g/mol. Its IUPAC name is 2,2-dimethyl-N-[5-[2-(4-methylphenyl)ethenyl]quinolin-8-yl]propanamide.

Molecular Properties

Compound Name2,2-dimethyl-N-[5-[2-(4-methylphenyl)ethenyl]quinolin-8-yl]propanamide
PubChem CID141483605
Molecular FormulaC23H24N2O
Molecular Weight344.46 g/mol
Exact Mass344.19
IUPAC Name2,2-dimethyl-N-[5-[2-(4-methylphenyl)ethenyl]quinolin-8-yl]propanamide
SMILESCc1ccc(C=Cc2ccc(NC(=O)C(C)(C)C)c3ncccc23)cc1
InChIInChI=1S/C23H24N2O/c1-16-7-9-17(10-8-16)11-12-18-13-14-20(25-22(26)23(2,3)4)21-19(18)6-5-15-24-21/h5-15H,1-4H3,(H,25,26)
InChIKeyVMZFODZKLJKHQH-UHFFFAOYSA-N
XLogP5.70
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.46
LogP ≤ 55.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'stilbene', 'substructure': 'N/A'}

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Related Compounds

2,2-dimethyl-N-[5-[2-[4-(trifluoromethyl)phenyl]ethenyl]quinolin-8-yl]propanamide
CID 141483609
tert-butyl N-(5-formylquinolin-8-yl)carbamate
CID 155816847
2,2-dimethyl-N-(5-pyrazol-1-ylquinolin-8-yl)propanamide
CID 139187751
N-[5-(4-bromophenyl)sulfanylquinolin-8-yl]-2,2-dimethylpropanamide
CID 141418907
2,2-dimethyl-N-quinolin-8-ylpropanamide;molecular hydrogen
CID 143593011
propan-2-yl 2-[8-(2,2-dimethylpropanoylamino)quinolin-5-yl]-3-oxobutanoate
CID 154707628
3-chloro-N-(5-chloroquinolin-8-yl)-2,2-dimethylpropanamide
CID 63680758
2,2-dimethyl-N-(8-propoxyquinolin-5-yl)propanamide
CID 100773580
N-(8-butoxyquinolin-5-yl)-2,2-dimethylpropanamide
CID 100773589
3-amino-N-(5-chloroquinolin-8-yl)-2,2,3-trimethylbutanamide
CID 65269986
N-(2-formyl-3-pyridinyl)-2,2-dimethylpropanamide
CID 121217282
tert-butyl N-[4-[(E)-2-pyridin-4-ylethenyl]naphthalen-1-yl]carbamate
CID 142008030

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-[5-[2-(4-methylphenyl)ethenyl]quinolin-8-yl]propanamide?
The IUPAC name of 2,2-dimethyl-N-[5-[2-(4-methylphenyl)ethenyl]quinolin-8-yl]propanamide (CID 141483605) is 2,2-dimethyl-N-[5-[2-(4-methylphenyl)ethenyl]quinolin-8-yl]propanamide.
What is the SMILES notation for 2,2-dimethyl-N-[5-[2-(4-methylphenyl)ethenyl]quinolin-8-yl]propanamide?
The canonical SMILES for 2,2-dimethyl-N-[5-[2-(4-methylphenyl)ethenyl]quinolin-8-yl]propanamide is Cc1ccc(C=Cc2ccc(NC(=O)C(C)(C)C)c3ncccc23)cc1.
What is the InChIKey of 2,2-dimethyl-N-[5-[2-(4-methylphenyl)ethenyl]quinolin-8-yl]propanamide?
The InChIKey is VMZFODZKLJKHQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O/c1-16-7-9-17(10-8-16)11-12-18-13-14-20(25-22(26)23(2,3)4)21-19(18)6-5-15-24-21/h5-15H,1-4H3,(H,25,26).
What are the key properties of 2,2-dimethyl-N-[5-[2-(4-methylphenyl)ethenyl]quinolin-8-yl]propanamide?
2,2-dimethyl-N-[5-[2-(4-methylphenyl)ethenyl]quinolin-8-yl]propanamide has a molecular weight of 344.46 g/mol, XLogP of 5.70, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-[5-[2-(4-methylphenyl)ethenyl]quinolin-8-yl]propanamide is sourced from PubChem (CID 141483605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).