N-[(2S,4S)-1-acetyl-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-2-methyl-N-phenylpropanamide

C22H26N2O2 — CID 6581246

IUPACN-[(2S,4S)-1-acetyl-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-2-methyl-N-phenylpropanamide
SMILESCC(=O)N1c2ccccc2[C@@H](N(C(=O)C(C)C)c2ccccc2)C[C@@H]1C
InChIInChI=1S/C22H26N2O2/c1-15(2)22(26)24(18-10-6-5-7-11-18)21-14-16(3)23(17(4)25)20-13-9-8-12-19(20)21/h5-13,15-16,21H,14H2,1-4H3/t16-,21-/m0/s1
InChIKeyOWUNBKRJRXZEAY-KKSFZXQISA-N
MW350.46 g/mol
LogP4.56
Rot. Bonds3

About N-[(2S,4S)-1-acetyl-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-2-methyl-N-phenylpropanamide

N-[(2S,4S)-1-acetyl-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-2-methyl-N-phenylpropanamide (PubChem CID 6581246) has the molecular formula C22H26N2O2 and a molecular weight of 350.46 g/mol. Its IUPAC name is N-[(2S,4S)-1-acetyl-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-2-methyl-N-phenylpropanamide.

Molecular Properties

Compound NameN-[(2S,4S)-1-acetyl-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-2-methyl-N-phenylpropanamide
PubChem CID6581246
Molecular FormulaC22H26N2O2
Molecular Weight350.46 g/mol
Exact Mass350.20
IUPAC NameN-[(2S,4S)-1-acetyl-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-2-methyl-N-phenylpropanamide
SMILESCC(=O)N1c2ccccc2[C@@H](N(C(=O)C(C)C)c2ccccc2)C[C@@H]1C
InChIInChI=1S/C22H26N2O2/c1-15(2)22(26)24(18-10-6-5-7-11-18)21-14-16(3)23(17(4)25)20-13-9-8-12-19(20)21/h5-13,15-16,21H,14H2,1-4H3/t16-,21-/m0/s1
InChIKeyOWUNBKRJRXZEAY-KKSFZXQISA-N
XLogP4.56
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.46
LogP ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2R,4R)-1-acetyl-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-2-methyl-N-phenylpropanamide
CID 7299352
N-[(2S,4S)-1-acetyl-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-phenylpentanamide
CID 6581067
N-[(2S,4S)-1-acetyl-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-2-fluoro-N-phenylbenzamide
CID 1205542
(E)-N-[(2R,4R)-1-acetyl-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N,3-diphenylprop-2-enamide
CID 7592871
N-[(2S,4R)-1-acetyl-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-phenylfuran-2-carboxamide
CID 131726425
N-[(2R,4S)-1-acetyl-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-4-methoxy-N-phenylbenzamide
CID 2319886
N-[(2S,4S)-1-acetyl-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-3-methoxy-N-phenylbenzamide
CID 1041001
N-[(2S,4S)-1-acetyl-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-3,5-dinitro-N-phenylbenzamide
CID 1421350
4-fluoro-N-[(2R,4R)-2-methyl-1-(2-methylpropanoyl)-3,4-dihydro-2H-quinolin-4-yl]-N-phenylbenzamide
CID 6555961
N-[(2S,4R)-1-acetyl-6-chloro-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-phenylacetamide
CID 7316015
(Z)-N-[(2R,4R)-1-acetyl-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-3-(4-methoxyphenyl)-N-phenylprop-2-enamide
CID 92914052
N-[(2S,4S)-1-(cyclopropanecarbonyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-phenylcyclopropanecarboxamide
CID 1116791

Frequently Asked Questions

What is the IUPAC name of N-[(2S,4S)-1-acetyl-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-2-methyl-N-phenylpropanamide?
The IUPAC name of N-[(2S,4S)-1-acetyl-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-2-methyl-N-phenylpropanamide (CID 6581246) is N-[(2S,4S)-1-acetyl-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-2-methyl-N-phenylpropanamide.
What is the SMILES notation for N-[(2S,4S)-1-acetyl-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-2-methyl-N-phenylpropanamide?
The canonical SMILES for N-[(2S,4S)-1-acetyl-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-2-methyl-N-phenylpropanamide is CC(=O)N1c2ccccc2[C@@H](N(C(=O)C(C)C)c2ccccc2)C[C@@H]1C.
What is the InChIKey of N-[(2S,4S)-1-acetyl-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-2-methyl-N-phenylpropanamide?
The InChIKey is OWUNBKRJRXZEAY-KKSFZXQISA-N. The full InChI is InChI=1S/C22H26N2O2/c1-15(2)22(26)24(18-10-6-5-7-11-18)21-14-16(3)23(17(4)25)20-13-9-8-12-19(20)21/h5-13,15-16,21H,14H2,1-4H3/t16-,21-/m0/s1.
What are the key properties of N-[(2S,4S)-1-acetyl-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-2-methyl-N-phenylpropanamide?
N-[(2S,4S)-1-acetyl-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-2-methyl-N-phenylpropanamide has a molecular weight of 350.46 g/mol, XLogP of 4.56, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S,4S)-1-acetyl-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-2-methyl-N-phenylpropanamide is sourced from PubChem (CID 6581246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).