N-(2-methyl-2-phenylpropyl)-3,4-dihydro-2H-quinoline-1-carboxamide

C20H24N2O — CID 113213261

IUPACN-(2-methyl-2-phenylpropyl)-3,4-dihydro-2H-quinoline-1-carboxamide
SMILESCC(C)(CNC(=O)N1CCCc2ccccc21)c1ccccc1
InChIInChI=1S/C20H24N2O/c1-20(2,17-11-4-3-5-12-17)15-21-19(23)22-14-8-10-16-9-6-7-13-18(16)22/h3-7,9,11-13H,8,10,14-15H2,1-2H3,(H,21,23)
InChIKeyJOFSJWZQIQMITL-UHFFFAOYSA-N
MW308.43 g/mol
LogP4.13
Rot. Bonds3

About N-(2-methyl-2-phenylpropyl)-3,4-dihydro-2H-quinoline-1-carboxamide

N-(2-methyl-2-phenylpropyl)-3,4-dihydro-2H-quinoline-1-carboxamide (PubChem CID 113213261) has the molecular formula C20H24N2O and a molecular weight of 308.43 g/mol. Its IUPAC name is N-(2-methyl-2-phenylpropyl)-3,4-dihydro-2H-quinoline-1-carboxamide.

Molecular Properties

Compound NameN-(2-methyl-2-phenylpropyl)-3,4-dihydro-2H-quinoline-1-carboxamide
PubChem CID113213261
Molecular FormulaC20H24N2O
Molecular Weight308.43 g/mol
Exact Mass308.19
IUPAC NameN-(2-methyl-2-phenylpropyl)-3,4-dihydro-2H-quinoline-1-carboxamide
SMILESCC(C)(CNC(=O)N1CCCc2ccccc21)c1ccccc1
InChIInChI=1S/C20H24N2O/c1-20(2,17-11-4-3-5-12-17)15-21-19(23)22-14-8-10-16-9-6-7-13-18(16)22/h3-7,9,11-13H,8,10,14-15H2,1-2H3,(H,21,23)
InChIKeyJOFSJWZQIQMITL-UHFFFAOYSA-N
XLogP4.13
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.43
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-(3,4-dihydro-2H-quinoline-1-carbonylamino)-2-methylpropanoic acid
CID 62669562
2-amino-N-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-2-phenylpropanamide
CID 120590099
3-(3,4-dihydro-2H-quinoline-1-carbonylamino)-3-methylbutanoic acid
CID 64702390
N-(3-phenylpropyl)-3,4-dihydro-2H-quinoline-1-carboxamide
CID 108990483
2-(3,4-dihydro-2H-quinoline-1-carbonylamino)-3,3-dimethylbutanoic acid
CID 61184900
(2S)-2-(3,4-dihydro-2H-quinoline-1-carbonylamino)-3,3-dimethylbutanoic acid
CID 61184377
N-(oxiran-2-ylmethyl)-3,4-dihydro-2H-quinoline-1-carboxamide
CID 150484451
(2-methyl-2-phenylpropyl)carbamothioic S-acid
CID 115170506
2-(3,4-dihydro-2H-quinoline-1-carbonylamino)butanoic acid
CID 61185072
2-[tert-butyl(3,4-dihydro-2H-quinoline-1-carbonyl)amino]acetic acid
CID 79263741
2-(tert-butylamino)-1-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)ethanone
CID 78928291
1-(3,4-dihydro-2H-quinolin-1-yl)-2-[(2-methyl-1-phenylpropan-2-yl)amino]ethanone
CID 68969181

Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-2-phenylpropyl)-3,4-dihydro-2H-quinoline-1-carboxamide?
The IUPAC name of N-(2-methyl-2-phenylpropyl)-3,4-dihydro-2H-quinoline-1-carboxamide (CID 113213261) is N-(2-methyl-2-phenylpropyl)-3,4-dihydro-2H-quinoline-1-carboxamide.
What is the SMILES notation for N-(2-methyl-2-phenylpropyl)-3,4-dihydro-2H-quinoline-1-carboxamide?
The canonical SMILES for N-(2-methyl-2-phenylpropyl)-3,4-dihydro-2H-quinoline-1-carboxamide is CC(C)(CNC(=O)N1CCCc2ccccc21)c1ccccc1.
What is the InChIKey of N-(2-methyl-2-phenylpropyl)-3,4-dihydro-2H-quinoline-1-carboxamide?
The InChIKey is JOFSJWZQIQMITL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O/c1-20(2,17-11-4-3-5-12-17)15-21-19(23)22-14-8-10-16-9-6-7-13-18(16)22/h3-7,9,11-13H,8,10,14-15H2,1-2H3,(H,21,23).
What are the key properties of N-(2-methyl-2-phenylpropyl)-3,4-dihydro-2H-quinoline-1-carboxamide?
N-(2-methyl-2-phenylpropyl)-3,4-dihydro-2H-quinoline-1-carboxamide has a molecular weight of 308.43 g/mol, XLogP of 4.13, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-2-phenylpropyl)-3,4-dihydro-2H-quinoline-1-carboxamide is sourced from PubChem (CID 113213261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).