N-[(2R)-2-(dimethylamino)-2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]-N'-(2,5-dimethylphenyl)oxamide

C24H32N4O2 — CID 40947890

IUPACN-[(2R)-2-(dimethylamino)-2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]-N'-(2,5-dimethylphenyl)oxamide
SMILESCc1ccc(C)c(NC(=O)C(=O)NC[C@@H](c2ccc3c(c2)CCCN3C)N(C)C)c1
InChIInChI=1S/C24H32N4O2/c1-16-8-9-17(2)20(13-16)26-24(30)23(29)25-15-22(27(3)4)19-10-11-21-18(14-19)7-6-12-28(21)5/h8-11,13-14,22H,6-7,12,15H2,1-5H3,(H,25,29)(H,26,30)/t22-/m0/s1
InChIKeySWQLGAZNESACHZ-QFIPXVFZSA-N
MW408.55 g/mol
LogP3.04
Rot. Bonds5

About N-[(2R)-2-(dimethylamino)-2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]-N'-(2,5-dimethylphenyl)oxamide

N-[(2R)-2-(dimethylamino)-2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]-N'-(2,5-dimethylphenyl)oxamide (PubChem CID 40947890) has the molecular formula C24H32N4O2 and a molecular weight of 408.55 g/mol. Its IUPAC name is N-[(2R)-2-(dimethylamino)-2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]-N'-(2,5-dimethylphenyl)oxamide.

Molecular Properties

Compound NameN-[(2R)-2-(dimethylamino)-2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]-N'-(2,5-dimethylphenyl)oxamide
PubChem CID40947890
Molecular FormulaC24H32N4O2
Molecular Weight408.55 g/mol
Exact Mass408.25
IUPAC NameN-[(2R)-2-(dimethylamino)-2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]-N'-(2,5-dimethylphenyl)oxamide
SMILESCc1ccc(C)c(NC(=O)C(=O)NC[C@@H](c2ccc3c(c2)CCCN3C)N(C)C)c1
InChIInChI=1S/C24H32N4O2/c1-16-8-9-17(2)20(13-16)26-24(30)23(29)25-15-22(27(3)4)19-10-11-21-18(14-19)7-6-12-28(21)5/h8-11,13-14,22H,6-7,12,15H2,1-5H3,(H,25,29)(H,26,30)/t22-/m0/s1
InChIKeySWQLGAZNESACHZ-QFIPXVFZSA-N
XLogP3.04
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.55
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

N-[(2S)-2-(dimethylamino)-2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]-N'-(2,5-dimethylphenyl)oxamide
CID 40947892
N-[2-(dimethylamino)-2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]-N'-(2-methoxyphenyl)oxamide
CID 16802064
N-[(2S)-2-(dimethylamino)-2-(1-methyl-2,3-dihydroindol-5-yl)ethyl]-N'-(2,3-dimethylphenyl)oxamide
CID 40890464
N'-(5-chloro-2-methoxyphenyl)-N-[(2R)-2-(dimethylamino)-2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]oxamide
CID 40947872
N-[(2S)-2-(dimethylamino)-2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]-N'-(1,3-thiazol-2-yl)oxamide
CID 40947898
N-[(2S)-2-(dimethylamino)-2-(1-methyl-2,3-dihydroindol-5-yl)ethyl]-N'-(2-fluorophenyl)oxamide
CID 40890402
N'-(2-methoxy-5-methylphenyl)-N-[(2S)-2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-2-pyrrolidin-1-ylethyl]oxamide
CID 41234158
N-[(2R)-2-(dimethylamino)-2-(1-methyl-2,3-dihydroindol-5-yl)ethyl]-N'-(2-methoxyphenyl)oxamide
CID 40890480
N'-[(2S)-2-(dimethylamino)-2-(1-methyl-2,3-dihydroindol-5-yl)ethyl]-N-(2-methoxyethyl)oxamide
CID 40890350
N-[(2R)-2-(dimethylamino)-2-(1-methyl-2,3-dihydroindol-5-yl)ethyl]-N'-(4-ethylphenyl)oxamide
CID 51449111
N-[(2S)-2-(dimethylamino)-2-(1-methyl-2,3-dihydroindol-5-yl)ethyl]-N'-(4-methoxyphenyl)oxamide
CID 40890318
N'-cycloheptyl-N-[(2S)-2-(dimethylamino)-2-(1-methyl-2,3-dihydroindol-5-yl)ethyl]oxamide
CID 40890450

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-(dimethylamino)-2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]-N'-(2,5-dimethylphenyl)oxamide?
The IUPAC name of N-[(2R)-2-(dimethylamino)-2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]-N'-(2,5-dimethylphenyl)oxamide (CID 40947890) is N-[(2R)-2-(dimethylamino)-2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]-N'-(2,5-dimethylphenyl)oxamide.
What is the SMILES notation for N-[(2R)-2-(dimethylamino)-2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]-N'-(2,5-dimethylphenyl)oxamide?
The canonical SMILES for N-[(2R)-2-(dimethylamino)-2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]-N'-(2,5-dimethylphenyl)oxamide is Cc1ccc(C)c(NC(=O)C(=O)NC[C@@H](c2ccc3c(c2)CCCN3C)N(C)C)c1.
What is the InChIKey of N-[(2R)-2-(dimethylamino)-2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]-N'-(2,5-dimethylphenyl)oxamide?
The InChIKey is SWQLGAZNESACHZ-QFIPXVFZSA-N. The full InChI is InChI=1S/C24H32N4O2/c1-16-8-9-17(2)20(13-16)26-24(30)23(29)25-15-22(27(3)4)19-10-11-21-18(14-19)7-6-12-28(21)5/h8-11,13-14,22H,6-7,12,15H2,1-5H3,(H,25,29)(H,26,30)/t22-/m0/s1.
What are the key properties of N-[(2R)-2-(dimethylamino)-2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]-N'-(2,5-dimethylphenyl)oxamide?
N-[(2R)-2-(dimethylamino)-2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]-N'-(2,5-dimethylphenyl)oxamide has a molecular weight of 408.55 g/mol, XLogP of 3.04, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-(dimethylamino)-2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]-N'-(2,5-dimethylphenyl)oxamide is sourced from PubChem (CID 40947890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).