N,N-diethyl-2-[(2S,4R)-1-methyl-2-phenyl-3,4-dihydro-2H-quinolin-4-yl]acetamide

C22H28N2O — CID 134997714

IUPACN,N-diethyl-2-[(2S,4R)-1-methyl-2-phenyl-3,4-dihydro-2H-quinolin-4-yl]acetamide
SMILESCCN(CC)C(=O)C[C@H]1C[C@@H](c2ccccc2)N(C)c2ccccc21
InChIInChI=1S/C22H28N2O/c1-4-24(5-2)22(25)16-18-15-21(17-11-7-6-8-12-17)23(3)20-14-10-9-13-19(18)20/h6-14,18,21H,4-5,15-16H2,1-3H3/t18-,21+/m1/s1
InChIKeyMONVEWQSIGPVRG-NQIIRXRSSA-N
MW336.48 g/mol
LogP4.61
Rot. Bonds5

About N,N-diethyl-2-[(2S,4R)-1-methyl-2-phenyl-3,4-dihydro-2H-quinolin-4-yl]acetamide

N,N-diethyl-2-[(2S,4R)-1-methyl-2-phenyl-3,4-dihydro-2H-quinolin-4-yl]acetamide (PubChem CID 134997714) has the molecular formula C22H28N2O and a molecular weight of 336.48 g/mol. Its IUPAC name is N,N-diethyl-2-[(2S,4R)-1-methyl-2-phenyl-3,4-dihydro-2H-quinolin-4-yl]acetamide.

Molecular Properties

Compound NameN,N-diethyl-2-[(2S,4R)-1-methyl-2-phenyl-3,4-dihydro-2H-quinolin-4-yl]acetamide
PubChem CID134997714
Molecular FormulaC22H28N2O
Molecular Weight336.48 g/mol
Exact Mass336.22
IUPAC NameN,N-diethyl-2-[(2S,4R)-1-methyl-2-phenyl-3,4-dihydro-2H-quinolin-4-yl]acetamide
SMILESCCN(CC)C(=O)C[C@H]1C[C@@H](c2ccccc2)N(C)c2ccccc21
InChIInChI=1S/C22H28N2O/c1-4-24(5-2)22(25)16-18-15-21(17-11-7-6-8-12-17)23(3)20-14-10-9-13-19(18)20/h6-14,18,21H,4-5,15-16H2,1-3H3/t18-,21+/m1/s1
InChIKeyMONVEWQSIGPVRG-NQIIRXRSSA-N
XLogP4.61
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.48
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N,N-diethyl-2-[(2R,4R)-1-methyl-2-phenyl-3,4-dihydro-2H-quinolin-4-yl]acetamide
CID 134997715
N,N-diethyl-3-[(2S,4R)-1-methyl-2-phenyl-3,4-dihydro-2H-quinolin-4-yl]-2-oxopropanamide
CID 102481161
N,N-diethyl-3-[(2R,4S)-1-methyl-2-phenyl-3,4-dihydro-2H-quinolin-4-yl]-2-oxopropanamide
CID 102481162
2-(1-acetyl-2,3-dihydroindol-3-yl)-N,N-diethylacetamide
CID 110681950
1-methyl-2-phenyl-3,4-dihydro-2H-quinoline-4-carbonitrile
CID 155930767
N,N-diethyl-2-(5-hydroxy-2,3,4,5-tetrahydro-1-benzazepin-1-yl)acetamide
CID 104558270
1-(1-methyl-2,3-dihydroindol-3-yl)propan-2-one
CID 115106363
N,N-diethyl-2-(1'-ethylsulfonylspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl)acetamide
CID 131651770
N,N-diethyl-2-[(1R)-1'-(morpholine-4-carbonyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide
CID 97400683
2-[1-[3-(dimethylamino)-3-oxopropyl]-2,3-dihydroindol-3-yl]acetic acid
CID 80578399
2-[(1S)-1'-(cyclopropylmethyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-N,N-diethylacetamide
CID 97376186
N,N-diethyl-3-(N-phenylanilino)propanamide
CID 3040700

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-[(2S,4R)-1-methyl-2-phenyl-3,4-dihydro-2H-quinolin-4-yl]acetamide?
The IUPAC name of N,N-diethyl-2-[(2S,4R)-1-methyl-2-phenyl-3,4-dihydro-2H-quinolin-4-yl]acetamide (CID 134997714) is N,N-diethyl-2-[(2S,4R)-1-methyl-2-phenyl-3,4-dihydro-2H-quinolin-4-yl]acetamide.
What is the SMILES notation for N,N-diethyl-2-[(2S,4R)-1-methyl-2-phenyl-3,4-dihydro-2H-quinolin-4-yl]acetamide?
The canonical SMILES for N,N-diethyl-2-[(2S,4R)-1-methyl-2-phenyl-3,4-dihydro-2H-quinolin-4-yl]acetamide is CCN(CC)C(=O)C[C@H]1C[C@@H](c2ccccc2)N(C)c2ccccc21.
What is the InChIKey of N,N-diethyl-2-[(2S,4R)-1-methyl-2-phenyl-3,4-dihydro-2H-quinolin-4-yl]acetamide?
The InChIKey is MONVEWQSIGPVRG-NQIIRXRSSA-N. The full InChI is InChI=1S/C22H28N2O/c1-4-24(5-2)22(25)16-18-15-21(17-11-7-6-8-12-17)23(3)20-14-10-9-13-19(18)20/h6-14,18,21H,4-5,15-16H2,1-3H3/t18-,21+/m1/s1.
What are the key properties of N,N-diethyl-2-[(2S,4R)-1-methyl-2-phenyl-3,4-dihydro-2H-quinolin-4-yl]acetamide?
N,N-diethyl-2-[(2S,4R)-1-methyl-2-phenyl-3,4-dihydro-2H-quinolin-4-yl]acetamide has a molecular weight of 336.48 g/mol, XLogP of 4.61, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-[(2S,4R)-1-methyl-2-phenyl-3,4-dihydro-2H-quinolin-4-yl]acetamide is sourced from PubChem (CID 134997714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).