2,2-dimethylpropane;3-phenyl-N-quinolin-3-ylpropanamide

C23H28N2O — CID 91168668

IUPAC2,2-dimethylpropane;3-phenyl-N-quinolin-3-ylpropanamide
SMILESCC(C)(C)C.O=C(CCc1ccccc1)Nc1cnc2ccccc2c1
InChIInChI=1S/C18H16N2O.C5H12/c21-18(11-10-14-6-2-1-3-7-14)20-16-12-15-8-4-5-9-17(15)19-13-16;1-5(2,3)4/h1-9,12-13H,10-11H2,(H,20,21);1-4H3
InChIKeyCERADTNABRBNPG-UHFFFAOYSA-N
MW348.49 g/mol
LogP5.86
Rot. Bonds4

About 2,2-dimethylpropane;3-phenyl-N-quinolin-3-ylpropanamide

2,2-dimethylpropane;3-phenyl-N-quinolin-3-ylpropanamide (PubChem CID 91168668) has the molecular formula C23H28N2O and a molecular weight of 348.49 g/mol. Its IUPAC name is 2,2-dimethylpropane;3-phenyl-N-quinolin-3-ylpropanamide.

Molecular Properties

Compound Name2,2-dimethylpropane;3-phenyl-N-quinolin-3-ylpropanamide
PubChem CID91168668
Molecular FormulaC23H28N2O
Molecular Weight348.49 g/mol
Exact Mass348.22
IUPAC Name2,2-dimethylpropane;3-phenyl-N-quinolin-3-ylpropanamide
SMILESCC(C)(C)C.O=C(CCc1ccccc1)Nc1cnc2ccccc2c1
InChIInChI=1S/C18H16N2O.C5H12/c21-18(11-10-14-6-2-1-3-7-14)20-16-12-15-8-4-5-9-17(15)19-13-16;1-5(2,3)4/h1-9,12-13H,10-11H2,(H,20,21);1-4H3
InChIKeyCERADTNABRBNPG-UHFFFAOYSA-N
XLogP5.86
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.49
LogP ≤ 55.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-phenyl-N-(quinolin-3-ylcarbamoyl)propanamide
CID 69378485
3-(4-pentylphenyl)-N-quinolin-3-ylpropanamide
CID 11725197
3-phenyl-N'-quinolin-3-ylpropanehydrazide
CID 71618065
4-oxo-4-(quinolin-3-ylamino)butanoic acid
CID 861757
N-quinolin-3-yl-3-thiophen-3-ylpropanamide
CID 29330989
3-[4-[methyl(pentyl)amino]phenyl]-N-quinolin-3-ylpropanamide
CID 66815460
3-(4-piperidin-1-ylsulfonylphenyl)-N-quinolin-3-ylpropanamide
CID 29330338
2-(4-acetamidophenyl)-N-quinolin-3-ylacetamide
CID 18146526
2-[3-oxo-3-(quinolin-3-ylamino)propyl]-5-(trifluoromethyl)benzamide
CID 173151982
tert-butyl N-[(2R)-1-oxo-4-phenyl-1-(quinolin-3-ylamino)butan-2-yl]carbamate
CID 21341518
3-(benzenesulfonamido)-N-quinolin-3-ylpropanamide
CID 52553671
3-[3-nitro-4-[(2,2,2-trifluoroacetyl)amino]phenyl]-N-quinolin-3-ylpropanamide
CID 19038210

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethylpropane;3-phenyl-N-quinolin-3-ylpropanamide?
The IUPAC name of 2,2-dimethylpropane;3-phenyl-N-quinolin-3-ylpropanamide (CID 91168668) is 2,2-dimethylpropane;3-phenyl-N-quinolin-3-ylpropanamide.
What is the SMILES notation for 2,2-dimethylpropane;3-phenyl-N-quinolin-3-ylpropanamide?
The canonical SMILES for 2,2-dimethylpropane;3-phenyl-N-quinolin-3-ylpropanamide is CC(C)(C)C.O=C(CCc1ccccc1)Nc1cnc2ccccc2c1.
What is the InChIKey of 2,2-dimethylpropane;3-phenyl-N-quinolin-3-ylpropanamide?
The InChIKey is CERADTNABRBNPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O.C5H12/c21-18(11-10-14-6-2-1-3-7-14)20-16-12-15-8-4-5-9-17(15)19-13-16;1-5(2,3)4/h1-9,12-13H,10-11H2,(H,20,21);1-4H3.
What are the key properties of 2,2-dimethylpropane;3-phenyl-N-quinolin-3-ylpropanamide?
2,2-dimethylpropane;3-phenyl-N-quinolin-3-ylpropanamide has a molecular weight of 348.49 g/mol, XLogP of 5.86, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethylpropane;3-phenyl-N-quinolin-3-ylpropanamide is sourced from PubChem (CID 91168668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).