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

C26H26N2O2 — CID 1315658

IUPACN-[(2R,4S)-2-methyl-1-propanoyl-3,4-dihydro-2H-quinolin-4-yl]-N-phenylbenzamide
SMILESCCC(=O)N1c2ccccc2[C@@H](N(C(=O)c2ccccc2)c2ccccc2)C[C@H]1C
InChIInChI=1S/C26H26N2O2/c1-3-25(29)27-19(2)18-24(22-16-10-11-17-23(22)27)28(21-14-8-5-9-15-21)26(30)20-12-6-4-7-13-20/h4-17,19,24H,3,18H2,1-2H3/t19-,24+/m1/s1
InChIKeyHUJFXWRHJFJZPW-DVECYGJZSA-N
MW398.51 g/mol
LogP5.61
Rot. Bonds4

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

N-[(2R,4S)-2-methyl-1-propanoyl-3,4-dihydro-2H-quinolin-4-yl]-N-phenylbenzamide (PubChem CID 1315658) has the molecular formula C26H26N2O2 and a molecular weight of 398.51 g/mol. Its IUPAC name is N-[(2R,4S)-2-methyl-1-propanoyl-3,4-dihydro-2H-quinolin-4-yl]-N-phenylbenzamide.

Molecular Properties

Compound NameN-[(2R,4S)-2-methyl-1-propanoyl-3,4-dihydro-2H-quinolin-4-yl]-N-phenylbenzamide
PubChem CID1315658
Molecular FormulaC26H26N2O2
Molecular Weight398.51 g/mol
Exact Mass398.20
IUPAC NameN-[(2R,4S)-2-methyl-1-propanoyl-3,4-dihydro-2H-quinolin-4-yl]-N-phenylbenzamide
SMILESCCC(=O)N1c2ccccc2[C@@H](N(C(=O)c2ccccc2)c2ccccc2)C[C@H]1C
InChIInChI=1S/C26H26N2O2/c1-3-25(29)27-19(2)18-24(22-16-10-11-17-23(22)27)28(21-14-8-5-9-15-21)26(30)20-12-6-4-7-13-20/h4-17,19,24H,3,18H2,1-2H3/t19-,24+/m1/s1
InChIKeyHUJFXWRHJFJZPW-DVECYGJZSA-N
XLogP5.61
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.51
LogP ≤ 55.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2S,4S)-2-methyl-1-propanoyl-3,4-dihydro-2H-quinolin-4-yl]-N-(4-nitrophenyl)benzamide
CID 40901409
N-[(2S,4R)-2-methyl-1-propanoyl-3,4-dihydro-2H-quinolin-4-yl]-N-phenylpropanamide
CID 1100225
N-(2-methyl-1-propanoyl-3,4-dihydro-2H-quinolin-4-yl)-N-phenylpropanamide
CID 3103979
N-(2-methyl-1-propanoyl-3,4-dihydro-2H-quinolin-4-yl)-2-phenoxy-N-phenylacetamide
CID 17354822
2-(4-fluorophenyl)-N-[(2R,4S)-2-methyl-1-propanoyl-3,4-dihydro-2H-quinolin-4-yl]-N-phenylacetamide
CID 1048862
N-[2-methyl-1-(2-phenylacetyl)-3,4-dihydro-2H-quinolin-4-yl]-N-phenylpropanamide
CID 17067365
N-[(2S,4R)-2-methyl-1-propanoyl-3,4-dihydro-2H-quinolin-4-yl]-N-phenyl-2-thiophen-2-ylacetamide
CID 40771805
N-[(2R,4S)-1-butanoyl-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-3-nitro-N-phenylbenzamide
CID 1048617
3-methoxy-N-[(2R,4R)-2-methyl-1-pentanoyl-3,4-dihydro-2H-quinolin-4-yl]-N-phenylbenzamide
CID 2302424
N-[(2R,4S)-1-acetyl-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-4-methoxy-N-phenylbenzamide
CID 2319886
ethane;N-(1-methoxy-2-methyl-3,4-dihydro-2H-quinolin-4-yl)-N-phenylbenzamide
CID 142906233
N-[(2S,4S)-2-methyl-1-pentanoyl-3,4-dihydro-2H-quinolin-4-yl]-N-phenylacetamide
CID 7315666

Frequently Asked Questions

What is the IUPAC name of N-[(2R,4S)-2-methyl-1-propanoyl-3,4-dihydro-2H-quinolin-4-yl]-N-phenylbenzamide?
The IUPAC name of N-[(2R,4S)-2-methyl-1-propanoyl-3,4-dihydro-2H-quinolin-4-yl]-N-phenylbenzamide (CID 1315658) is N-[(2R,4S)-2-methyl-1-propanoyl-3,4-dihydro-2H-quinolin-4-yl]-N-phenylbenzamide.
What is the SMILES notation for N-[(2R,4S)-2-methyl-1-propanoyl-3,4-dihydro-2H-quinolin-4-yl]-N-phenylbenzamide?
The canonical SMILES for N-[(2R,4S)-2-methyl-1-propanoyl-3,4-dihydro-2H-quinolin-4-yl]-N-phenylbenzamide is CCC(=O)N1c2ccccc2[C@@H](N(C(=O)c2ccccc2)c2ccccc2)C[C@H]1C.
What is the InChIKey of N-[(2R,4S)-2-methyl-1-propanoyl-3,4-dihydro-2H-quinolin-4-yl]-N-phenylbenzamide?
The InChIKey is HUJFXWRHJFJZPW-DVECYGJZSA-N. The full InChI is InChI=1S/C26H26N2O2/c1-3-25(29)27-19(2)18-24(22-16-10-11-17-23(22)27)28(21-14-8-5-9-15-21)26(30)20-12-6-4-7-13-20/h4-17,19,24H,3,18H2,1-2H3/t19-,24+/m1/s1.
What are the key properties of N-[(2R,4S)-2-methyl-1-propanoyl-3,4-dihydro-2H-quinolin-4-yl]-N-phenylbenzamide?
N-[(2R,4S)-2-methyl-1-propanoyl-3,4-dihydro-2H-quinolin-4-yl]-N-phenylbenzamide has a molecular weight of 398.51 g/mol, XLogP of 5.61, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R,4S)-2-methyl-1-propanoyl-3,4-dihydro-2H-quinolin-4-yl]-N-phenylbenzamide is sourced from PubChem (CID 1315658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).