(8R)-2-methyl-N,5-diphenyl-3,4,6,7,8,8a-hexahydro-1H-isoquinoline-8-carboxamide

C23H26N2O — CID 23650808

IUPAC(8R)-2-methyl-N,5-diphenyl-3,4,6,7,8,8a-hexahydro-1H-isoquinoline-8-carboxamide
SMILESCN1CCC2=C(c3ccccc3)CC[C@@H](C(=O)Nc3ccccc3)C2C1
InChIInChI=1S/C23H26N2O/c1-25-15-14-20-19(17-8-4-2-5-9-17)12-13-21(22(20)16-25)23(26)24-18-10-6-3-7-11-18/h2-11,21-22H,12-16H2,1H3,(H,24,26)/t21-,22?/m1/s1
InChIKeyFCRGZXGRNXWONJ-ZMFCMNQTSA-N
MW346.47 g/mol
LogP4.44
Rot. Bonds3

About (8R)-2-methyl-N,5-diphenyl-3,4,6,7,8,8a-hexahydro-1H-isoquinoline-8-carboxamide

(8R)-2-methyl-N,5-diphenyl-3,4,6,7,8,8a-hexahydro-1H-isoquinoline-8-carboxamide (PubChem CID 23650808) has the molecular formula C23H26N2O and a molecular weight of 346.47 g/mol. Its IUPAC name is (8R)-2-methyl-N,5-diphenyl-3,4,6,7,8,8a-hexahydro-1H-isoquinoline-8-carboxamide.

Molecular Properties

Compound Name(8R)-2-methyl-N,5-diphenyl-3,4,6,7,8,8a-hexahydro-1H-isoquinoline-8-carboxamide
PubChem CID23650808
Molecular FormulaC23H26N2O
Molecular Weight346.47 g/mol
Exact Mass346.20
IUPAC Name(8R)-2-methyl-N,5-diphenyl-3,4,6,7,8,8a-hexahydro-1H-isoquinoline-8-carboxamide
SMILESCN1CCC2=C(c3ccccc3)CC[C@@H](C(=O)Nc3ccccc3)C2C1
InChIInChI=1S/C23H26N2O/c1-25-15-14-20-19(17-8-4-2-5-9-17)12-13-21(22(20)16-25)23(26)24-18-10-6-3-7-11-18/h2-11,21-22H,12-16H2,1H3,(H,24,26)/t21-,22?/m1/s1
InChIKeyFCRGZXGRNXWONJ-ZMFCMNQTSA-N
XLogP4.44
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.47
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (8R)-2-methyl-N,5-diphenyl-3,4,6,7,8,8a-hexahydro-1H-isoquinoline-8-carboxamide with MolForge

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Related Compounds

(8R)-2-methyl-5-phenyl-N-prop-2-ynyl-3,4,6,7,8,8a-hexahydro-1H-isoquinoline-8-carboxamide
CID 89293228
(3R,4R)-1-methyl-N,4-diphenylpyrrolidine-3-carboxamide
CID 100894597
4-chloro-N-methylaniline;2,8-dimethyl-5-phenyl-3,4,6,7,8,8a-hexahydro-1H-isoquinoline;formaldehyde
CID 143553065
bis(4-imino-1-methyl-N-phenylpiperidine-3-carboxamide);trihydrochloride
CID 163331700
4-methyl-N-phenylmorpholine-2-carboxamide
CID 20524995
2-methyl-3-N-phenylpiperidine-1,3-dicarboxamide
CID 66701465
trans-(1R,2R)-1-N,2-N-diphenylcyclohexane-1,2-dicarboxamide
CID 15685590
(2R,3S)-2-(4-fluorophenyl)-1-methyl-6-oxo-N-phenylpiperidine-3-carboxamide
CID 97457685
(3S)-1-methyl-2-oxo-N-phenylpyrrolidine-3-carboxamide
CID 129405236
trans-(1R,2R)-N-phenyl-2-piperidin-1-ylcyclohexane-1-carboxamide
CID 125470128
trans-(1S,2S)-2-(phenylcarbamoyl)cyclohexane-1-carboxylic acid
CID 41097609
N-(4-chlorophenyl)-1-methyl-6-oxo-2-phenylpiperidine-3-carboxamide
CID 42651157

Frequently Asked Questions

What is the IUPAC name of (8R)-2-methyl-N,5-diphenyl-3,4,6,7,8,8a-hexahydro-1H-isoquinoline-8-carboxamide?
The IUPAC name of (8R)-2-methyl-N,5-diphenyl-3,4,6,7,8,8a-hexahydro-1H-isoquinoline-8-carboxamide (CID 23650808) is (8R)-2-methyl-N,5-diphenyl-3,4,6,7,8,8a-hexahydro-1H-isoquinoline-8-carboxamide.
What is the SMILES notation for (8R)-2-methyl-N,5-diphenyl-3,4,6,7,8,8a-hexahydro-1H-isoquinoline-8-carboxamide?
The canonical SMILES for (8R)-2-methyl-N,5-diphenyl-3,4,6,7,8,8a-hexahydro-1H-isoquinoline-8-carboxamide is CN1CCC2=C(c3ccccc3)CC[C@@H](C(=O)Nc3ccccc3)C2C1.
What is the InChIKey of (8R)-2-methyl-N,5-diphenyl-3,4,6,7,8,8a-hexahydro-1H-isoquinoline-8-carboxamide?
The InChIKey is FCRGZXGRNXWONJ-ZMFCMNQTSA-N. The full InChI is InChI=1S/C23H26N2O/c1-25-15-14-20-19(17-8-4-2-5-9-17)12-13-21(22(20)16-25)23(26)24-18-10-6-3-7-11-18/h2-11,21-22H,12-16H2,1H3,(H,24,26)/t21-,22?/m1/s1.
What are the key properties of (8R)-2-methyl-N,5-diphenyl-3,4,6,7,8,8a-hexahydro-1H-isoquinoline-8-carboxamide?
(8R)-2-methyl-N,5-diphenyl-3,4,6,7,8,8a-hexahydro-1H-isoquinoline-8-carboxamide has a molecular weight of 346.47 g/mol, XLogP of 4.44, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (8R)-2-methyl-N,5-diphenyl-3,4,6,7,8,8a-hexahydro-1H-isoquinoline-8-carboxamide is sourced from PubChem (CID 23650808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).