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

C22H28N2O — CID 2332403

IUPACN-[(2R,4R)-2-methyl-1,2,3,4-tetrahydroquinolin-4-yl]-N-phenylhexanamide
SMILESCCCCCC(=O)N(c1ccccc1)[C@@H]1C[C@@H](C)Nc2ccccc21
InChIInChI=1S/C22H28N2O/c1-3-4-6-15-22(25)24(18-11-7-5-8-12-18)21-16-17(2)23-20-14-10-9-13-19(20)21/h5,7-14,17,21,23H,3-4,6,15-16H2,1-2H3/t17-,21-/m1/s1
InChIKeyCWMXHTLZBUQINT-DYESRHJHSA-N
MW336.48 g/mol
LogP5.55
Rot. Bonds6

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

N-[(2R,4R)-2-methyl-1,2,3,4-tetrahydroquinolin-4-yl]-N-phenylhexanamide (PubChem CID 2332403) has the molecular formula C22H28N2O and a molecular weight of 336.48 g/mol. Its IUPAC name is N-[(2R,4R)-2-methyl-1,2,3,4-tetrahydroquinolin-4-yl]-N-phenylhexanamide.

Molecular Properties

Compound NameN-[(2R,4R)-2-methyl-1,2,3,4-tetrahydroquinolin-4-yl]-N-phenylhexanamide
PubChem CID2332403
Molecular FormulaC22H28N2O
Molecular Weight336.48 g/mol
Exact Mass336.22
IUPAC NameN-[(2R,4R)-2-methyl-1,2,3,4-tetrahydroquinolin-4-yl]-N-phenylhexanamide
SMILESCCCCCC(=O)N(c1ccccc1)[C@@H]1C[C@@H](C)Nc2ccccc21
InChIInChI=1S/C22H28N2O/c1-3-4-6-15-22(25)24(18-11-7-5-8-12-18)21-16-17(2)23-20-14-10-9-13-19(20)21/h5,7-14,17,21,23H,3-4,6,15-16H2,1-2H3/t17-,21-/m1/s1
InChIKeyCWMXHTLZBUQINT-DYESRHJHSA-N
XLogP5.55
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.48
LogP ≤ 55.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[(2R,4R)-2-methyl-1,2,3,4-tetrahydroquinolin-4-yl]-N-phenylbutanamide
CID 793420
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-(4-chlorophenyl)-2-hydroxy-N-[(2S,4R)-2-methyl-1,2,3,4-tetrahydroquinolin-4-yl]acetamide
CID 68918824
2,2-dimethyl-N-[(2R,4R)-2-methyl-1,2,3,4-tetrahydroquinolin-4-yl]-N-phenylpropanamide
CID 1399372
3-bromo-N-[(2R,4R)-2-methyl-1,2,3,4-tetrahydroquinolin-4-yl]-N-phenylbenzamide
CID 2280830
N-[(2S,4S)-1-acetyl-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-phenylpentanamide
CID 6581067
N-(3-fluorophenyl)-N-(2-methyl-1,2,3,4-tetrahydroquinolin-4-yl)benzamide
CID 23850631
2-methyl-4-pentyl-1,2,3,4-tetrahydroquinoline
CID 106778499
N-[(2R,4R)-2-methyl-1-octanoyl-3,4-dihydro-2H-quinolin-4-yl]-N-phenylacetamide
CID 9499477
(2R,4R)-2-methyl-1,2,3,4-tetrahydroquinoline-4-carboxylic acid
CID 95566944
N,2-dimethyl-N-propyl-1,2,3,4-tetrahydroquinoline-4-carboxamide
CID 43271515

Frequently Asked Questions

What is the IUPAC name of N-[(2R,4R)-2-methyl-1,2,3,4-tetrahydroquinolin-4-yl]-N-phenylhexanamide?
The IUPAC name of N-[(2R,4R)-2-methyl-1,2,3,4-tetrahydroquinolin-4-yl]-N-phenylhexanamide (CID 2332403) is N-[(2R,4R)-2-methyl-1,2,3,4-tetrahydroquinolin-4-yl]-N-phenylhexanamide.
What is the SMILES notation for N-[(2R,4R)-2-methyl-1,2,3,4-tetrahydroquinolin-4-yl]-N-phenylhexanamide?
The canonical SMILES for N-[(2R,4R)-2-methyl-1,2,3,4-tetrahydroquinolin-4-yl]-N-phenylhexanamide is CCCCCC(=O)N(c1ccccc1)[C@@H]1C[C@@H](C)Nc2ccccc21.
What is the InChIKey of N-[(2R,4R)-2-methyl-1,2,3,4-tetrahydroquinolin-4-yl]-N-phenylhexanamide?
The InChIKey is CWMXHTLZBUQINT-DYESRHJHSA-N. The full InChI is InChI=1S/C22H28N2O/c1-3-4-6-15-22(25)24(18-11-7-5-8-12-18)21-16-17(2)23-20-14-10-9-13-19(20)21/h5,7-14,17,21,23H,3-4,6,15-16H2,1-2H3/t17-,21-/m1/s1.
What are the key properties of N-[(2R,4R)-2-methyl-1,2,3,4-tetrahydroquinolin-4-yl]-N-phenylhexanamide?
N-[(2R,4R)-2-methyl-1,2,3,4-tetrahydroquinolin-4-yl]-N-phenylhexanamide has a molecular weight of 336.48 g/mol, XLogP of 5.55, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R,4R)-2-methyl-1,2,3,4-tetrahydroquinolin-4-yl]-N-phenylhexanamide is sourced from PubChem (CID 2332403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).