2,2-dimethyl-N-[(2R,4R)-2-methyl-1,2,3,4-tetrahydroquinolin-4-yl]-N-phenylpropanamide

C21H26N2O — CID 1399372

IUPAC2,2-dimethyl-N-[(2R,4R)-2-methyl-1,2,3,4-tetrahydroquinolin-4-yl]-N-phenylpropanamide
SMILESC[C@@H]1C[C@@H](N(C(=O)C(C)(C)C)c2ccccc2)c2ccccc2N1
InChIInChI=1S/C21H26N2O/c1-15-14-19(17-12-8-9-13-18(17)22-15)23(20(24)21(2,3)4)16-10-6-5-7-11-16/h5-13,15,19,22H,14H2,1-4H3/t15-,19-/m1/s1
InChIKeyWSIJSQLUABXOIM-DNVCBOLYSA-N
MW322.45 g/mol
LogP5.01
Rot. Bonds2

About 2,2-dimethyl-N-[(2R,4R)-2-methyl-1,2,3,4-tetrahydroquinolin-4-yl]-N-phenylpropanamide

2,2-dimethyl-N-[(2R,4R)-2-methyl-1,2,3,4-tetrahydroquinolin-4-yl]-N-phenylpropanamide (PubChem CID 1399372) has the molecular formula C21H26N2O and a molecular weight of 322.45 g/mol. Its IUPAC name is 2,2-dimethyl-N-[(2R,4R)-2-methyl-1,2,3,4-tetrahydroquinolin-4-yl]-N-phenylpropanamide.

Molecular Properties

Compound Name2,2-dimethyl-N-[(2R,4R)-2-methyl-1,2,3,4-tetrahydroquinolin-4-yl]-N-phenylpropanamide
PubChem CID1399372
Molecular FormulaC21H26N2O
Molecular Weight322.45 g/mol
Exact Mass322.20
IUPAC Name2,2-dimethyl-N-[(2R,4R)-2-methyl-1,2,3,4-tetrahydroquinolin-4-yl]-N-phenylpropanamide
SMILESC[C@@H]1C[C@@H](N(C(=O)C(C)(C)C)c2ccccc2)c2ccccc2N1
InChIInChI=1S/C21H26N2O/c1-15-14-19(17-12-8-9-13-18(17)22-15)23(20(24)21(2,3)4)16-10-6-5-7-11-16/h5-13,15,19,22H,14H2,1-4H3/t15-,19-/m1/s1
InChIKeyWSIJSQLUABXOIM-DNVCBOLYSA-N
XLogP5.01
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500322.45
LogP ≤ 55.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2,2-dimethyl-N-[(2R,4R)-2-methyl-1,2,3,4-tetrahydroquinolin-4-yl]-N-phenylpropanamide with MolForge

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Related Compounds

N-[(2S,4R)-2-methyl-1,2,3,4-tetrahydroquinolin-4-yl]-N-phenylacetamide
CID 687227
N-[(2R,4R)-2-methyl-1,2,3,4-tetrahydroquinolin-4-yl]-N-phenylacetamide
CID 687228
N-[(2R,4R)-2-methyl-1,2,3,4-tetrahydroquinolin-4-yl]-N-phenylbutanamide
CID 793420
N-[(2R,4R)-2-methyl-1,2,3,4-tetrahydroquinolin-4-yl]-N-phenylhexanamide
CID 2332403
3-bromo-N-[(2R,4R)-2-methyl-1,2,3,4-tetrahydroquinolin-4-yl]-N-phenylbenzamide
CID 2280830
N-(4-chlorophenyl)-2-hydroxy-N-[(2S,4R)-2-methyl-1,2,3,4-tetrahydroquinolin-4-yl]acetamide
CID 68918824
N-(3-fluorophenyl)-N-(2-methyl-1,2,3,4-tetrahydroquinolin-4-yl)benzamide
CID 23850631
(2R,4R)-2-methyl-1,2,3,4-tetrahydroquinoline-4-carboxylic acid
CID 95566944
2-methyl-N-(3-methylpentan-3-yl)-1,2,3,4-tetrahydroquinoline-4-carboxamide
CID 106329302
(2R,4S)-2-methyl-N-phenyl-1,2,3,4-tetrahydroquinolin-4-amine
CID 715781
4-benzyl-2-methyl-1,2,3,4-tetrahydroquinoline
CID 79234771
2,2,2-trifluoro-N-[(2R,4R)-2-methyl-1-(2,2,2-trifluoroacetyl)-3,4-dihydro-2H-quinolin-4-yl]-N-phenylacetamide
CID 1379548

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-[(2R,4R)-2-methyl-1,2,3,4-tetrahydroquinolin-4-yl]-N-phenylpropanamide?
The IUPAC name of 2,2-dimethyl-N-[(2R,4R)-2-methyl-1,2,3,4-tetrahydroquinolin-4-yl]-N-phenylpropanamide (CID 1399372) is 2,2-dimethyl-N-[(2R,4R)-2-methyl-1,2,3,4-tetrahydroquinolin-4-yl]-N-phenylpropanamide.
What is the SMILES notation for 2,2-dimethyl-N-[(2R,4R)-2-methyl-1,2,3,4-tetrahydroquinolin-4-yl]-N-phenylpropanamide?
The canonical SMILES for 2,2-dimethyl-N-[(2R,4R)-2-methyl-1,2,3,4-tetrahydroquinolin-4-yl]-N-phenylpropanamide is C[C@@H]1C[C@@H](N(C(=O)C(C)(C)C)c2ccccc2)c2ccccc2N1.
What is the InChIKey of 2,2-dimethyl-N-[(2R,4R)-2-methyl-1,2,3,4-tetrahydroquinolin-4-yl]-N-phenylpropanamide?
The InChIKey is WSIJSQLUABXOIM-DNVCBOLYSA-N. The full InChI is InChI=1S/C21H26N2O/c1-15-14-19(17-12-8-9-13-18(17)22-15)23(20(24)21(2,3)4)16-10-6-5-7-11-16/h5-13,15,19,22H,14H2,1-4H3/t15-,19-/m1/s1.
What are the key properties of 2,2-dimethyl-N-[(2R,4R)-2-methyl-1,2,3,4-tetrahydroquinolin-4-yl]-N-phenylpropanamide?
2,2-dimethyl-N-[(2R,4R)-2-methyl-1,2,3,4-tetrahydroquinolin-4-yl]-N-phenylpropanamide has a molecular weight of 322.45 g/mol, XLogP of 5.01, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-[(2R,4R)-2-methyl-1,2,3,4-tetrahydroquinolin-4-yl]-N-phenylpropanamide is sourced from PubChem (CID 1399372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).