N-[(2R,4S)-1-benzoyl-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-phenylacetamide

C25H24N2O2 — CID 1101169

IUPACN-[(2R,4S)-1-benzoyl-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-phenylacetamide
SMILESCC(=O)N(c1ccccc1)[C@H]1C[C@@H](C)N(C(=O)c2ccccc2)c2ccccc21
InChIInChI=1S/C25H24N2O2/c1-18-17-24(27(19(2)28)21-13-7-4-8-14-21)22-15-9-10-16-23(22)26(18)25(29)20-11-5-3-6-12-20/h3-16,18,24H,17H2,1-2H3/t18-,24+/m1/s1
InChIKeyJTPBHSOTKJMPKR-KOSHJBKYSA-N
MW384.48 g/mol
LogP5.22
Rot. Bonds3

About N-[(2R,4S)-1-benzoyl-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-phenylacetamide

N-[(2R,4S)-1-benzoyl-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-phenylacetamide (PubChem CID 1101169) has the molecular formula C25H24N2O2 and a molecular weight of 384.48 g/mol. Its IUPAC name is N-[(2R,4S)-1-benzoyl-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-phenylacetamide.

Molecular Properties

Compound NameN-[(2R,4S)-1-benzoyl-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-phenylacetamide
PubChem CID1101169
Molecular FormulaC25H24N2O2
Molecular Weight384.48 g/mol
Exact Mass384.18
IUPAC NameN-[(2R,4S)-1-benzoyl-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-phenylacetamide
SMILESCC(=O)N(c1ccccc1)[C@H]1C[C@@H](C)N(C(=O)c2ccccc2)c2ccccc21
InChIInChI=1S/C25H24N2O2/c1-18-17-24(27(19(2)28)21-13-7-4-8-14-21)22-15-9-10-16-23(22)26(18)25(29)20-11-5-3-6-12-20/h3-16,18,24H,17H2,1-2H3/t18-,24+/m1/s1
InChIKeyJTPBHSOTKJMPKR-KOSHJBKYSA-N
XLogP5.22
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.48
LogP ≤ 55.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(2R,4S)-1-benzoyl-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-phenylacetamide?
The IUPAC name of N-[(2R,4S)-1-benzoyl-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-phenylacetamide (CID 1101169) is N-[(2R,4S)-1-benzoyl-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-phenylacetamide.
What is the SMILES notation for N-[(2R,4S)-1-benzoyl-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-phenylacetamide?
The canonical SMILES for N-[(2R,4S)-1-benzoyl-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-phenylacetamide is CC(=O)N(c1ccccc1)[C@H]1C[C@@H](C)N(C(=O)c2ccccc2)c2ccccc21.
What is the InChIKey of N-[(2R,4S)-1-benzoyl-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-phenylacetamide?
The InChIKey is JTPBHSOTKJMPKR-KOSHJBKYSA-N. The full InChI is InChI=1S/C25H24N2O2/c1-18-17-24(27(19(2)28)21-13-7-4-8-14-21)22-15-9-10-16-23(22)26(18)25(29)20-11-5-3-6-12-20/h3-16,18,24H,17H2,1-2H3/t18-,24+/m1/s1.
What are the key properties of N-[(2R,4S)-1-benzoyl-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-phenylacetamide?
N-[(2R,4S)-1-benzoyl-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-phenylacetamide has a molecular weight of 384.48 g/mol, XLogP of 5.22, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R,4S)-1-benzoyl-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-phenylacetamide is sourced from PubChem (CID 1101169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).