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

C22H26N2O2 — CID 658601

IUPACN-[(2R,4S)-1-butanoyl-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-phenylacetamide
SMILESCCCC(=O)N1c2ccccc2[C@@H](N(C(C)=O)c2ccccc2)C[C@H]1C
InChIInChI=1S/C22H26N2O2/c1-4-10-22(26)23-16(2)15-21(19-13-8-9-14-20(19)23)24(17(3)25)18-11-6-5-7-12-18/h5-9,11-14,16,21H,4,10,15H2,1-3H3/t16-,21+/m1/s1
InChIKeyHNPXEKAXUIALNQ-IERDGZPVSA-N
MW350.46 g/mol
LogP4.71
Rot. Bonds4

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

N-[(2R,4S)-1-butanoyl-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-phenylacetamide (PubChem CID 658601) has the molecular formula C22H26N2O2 and a molecular weight of 350.46 g/mol. Its IUPAC name is N-[(2R,4S)-1-butanoyl-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-phenylacetamide.

Molecular Properties

Compound NameN-[(2R,4S)-1-butanoyl-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-phenylacetamide
PubChem CID658601
Molecular FormulaC22H26N2O2
Molecular Weight350.46 g/mol
Exact Mass350.20
IUPAC NameN-[(2R,4S)-1-butanoyl-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-phenylacetamide
SMILESCCCC(=O)N1c2ccccc2[C@@H](N(C(C)=O)c2ccccc2)C[C@H]1C
InChIInChI=1S/C22H26N2O2/c1-4-10-22(26)23-16(2)15-21(19-13-8-9-14-20(19)23)24(17(3)25)18-11-6-5-7-12-18/h5-9,11-14,16,21H,4,10,15H2,1-3H3/t16-,21+/m1/s1
InChIKeyHNPXEKAXUIALNQ-IERDGZPVSA-N
XLogP4.71
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.46
LogP ≤ 54.71
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-butanoyl-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-phenylacetamide?
The IUPAC name of N-[(2R,4S)-1-butanoyl-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-phenylacetamide (CID 658601) is N-[(2R,4S)-1-butanoyl-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-phenylacetamide.
What is the SMILES notation for N-[(2R,4S)-1-butanoyl-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-phenylacetamide?
The canonical SMILES for N-[(2R,4S)-1-butanoyl-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-phenylacetamide is CCCC(=O)N1c2ccccc2[C@@H](N(C(C)=O)c2ccccc2)C[C@H]1C.
What is the InChIKey of N-[(2R,4S)-1-butanoyl-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-phenylacetamide?
The InChIKey is HNPXEKAXUIALNQ-IERDGZPVSA-N. The full InChI is InChI=1S/C22H26N2O2/c1-4-10-22(26)23-16(2)15-21(19-13-8-9-14-20(19)23)24(17(3)25)18-11-6-5-7-12-18/h5-9,11-14,16,21H,4,10,15H2,1-3H3/t16-,21+/m1/s1.
What are the key properties of N-[(2R,4S)-1-butanoyl-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-phenylacetamide?
N-[(2R,4S)-1-butanoyl-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-phenylacetamide has a molecular weight of 350.46 g/mol, XLogP of 4.71, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R,4S)-1-butanoyl-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-phenylacetamide is sourced from PubChem (CID 658601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).