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

C23H28N2O2 — CID 102481161

IUPACN,N-diethyl-3-[(2S,4R)-1-methyl-2-phenyl-3,4-dihydro-2H-quinolin-4-yl]-2-oxopropanamide
SMILESCCN(CC)C(=O)C(=O)C[C@H]1C[C@@H](c2ccccc2)N(C)c2ccccc21
InChIInChI=1S/C23H28N2O2/c1-4-25(5-2)23(27)22(26)16-18-15-21(17-11-7-6-8-12-17)24(3)20-14-10-9-13-19(18)20/h6-14,18,21H,4-5,15-16H2,1-3H3/t18-,21+/m1/s1
InChIKeyRCJNXQPKNJROGH-NQIIRXRSSA-N
MW364.49 g/mol
LogP4.18
Rot. Bonds6

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

N,N-diethyl-3-[(2S,4R)-1-methyl-2-phenyl-3,4-dihydro-2H-quinolin-4-yl]-2-oxopropanamide (PubChem CID 102481161) has the molecular formula C23H28N2O2 and a molecular weight of 364.49 g/mol. Its IUPAC name is N,N-diethyl-3-[(2S,4R)-1-methyl-2-phenyl-3,4-dihydro-2H-quinolin-4-yl]-2-oxopropanamide.

Molecular Properties

Compound NameN,N-diethyl-3-[(2S,4R)-1-methyl-2-phenyl-3,4-dihydro-2H-quinolin-4-yl]-2-oxopropanamide
PubChem CID102481161
Molecular FormulaC23H28N2O2
Molecular Weight364.49 g/mol
Exact Mass364.22
IUPAC NameN,N-diethyl-3-[(2S,4R)-1-methyl-2-phenyl-3,4-dihydro-2H-quinolin-4-yl]-2-oxopropanamide
SMILESCCN(CC)C(=O)C(=O)C[C@H]1C[C@@H](c2ccccc2)N(C)c2ccccc21
InChIInChI=1S/C23H28N2O2/c1-4-25(5-2)23(27)22(26)16-18-15-21(17-11-7-6-8-12-17)24(3)20-14-10-9-13-19(18)20/h6-14,18,21H,4-5,15-16H2,1-3H3/t18-,21+/m1/s1
InChIKeyRCJNXQPKNJROGH-NQIIRXRSSA-N
XLogP4.18
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.49
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-3-[(2S,4R)-1-methyl-2-phenyl-3,4-dihydro-2H-quinolin-4-yl]-2-oxopropanamide?
The IUPAC name of N,N-diethyl-3-[(2S,4R)-1-methyl-2-phenyl-3,4-dihydro-2H-quinolin-4-yl]-2-oxopropanamide (CID 102481161) is N,N-diethyl-3-[(2S,4R)-1-methyl-2-phenyl-3,4-dihydro-2H-quinolin-4-yl]-2-oxopropanamide.
What is the SMILES notation for N,N-diethyl-3-[(2S,4R)-1-methyl-2-phenyl-3,4-dihydro-2H-quinolin-4-yl]-2-oxopropanamide?
The canonical SMILES for N,N-diethyl-3-[(2S,4R)-1-methyl-2-phenyl-3,4-dihydro-2H-quinolin-4-yl]-2-oxopropanamide is CCN(CC)C(=O)C(=O)C[C@H]1C[C@@H](c2ccccc2)N(C)c2ccccc21.
What is the InChIKey of N,N-diethyl-3-[(2S,4R)-1-methyl-2-phenyl-3,4-dihydro-2H-quinolin-4-yl]-2-oxopropanamide?
The InChIKey is RCJNXQPKNJROGH-NQIIRXRSSA-N. The full InChI is InChI=1S/C23H28N2O2/c1-4-25(5-2)23(27)22(26)16-18-15-21(17-11-7-6-8-12-17)24(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-3-[(2S,4R)-1-methyl-2-phenyl-3,4-dihydro-2H-quinolin-4-yl]-2-oxopropanamide?
N,N-diethyl-3-[(2S,4R)-1-methyl-2-phenyl-3,4-dihydro-2H-quinolin-4-yl]-2-oxopropanamide has a molecular weight of 364.49 g/mol, XLogP of 4.18, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-3-[(2S,4R)-1-methyl-2-phenyl-3,4-dihydro-2H-quinolin-4-yl]-2-oxopropanamide is sourced from PubChem (CID 102481161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).