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

C20H24N2O — CID 89293228

IUPAC(8R)-2-methyl-5-phenyl-N-prop-2-ynyl-3,4,6,7,8,8a-hexahydro-1H-isoquinoline-8-carboxamide
SMILESC#CCNC(=O)[C@@H]1CCC(c2ccccc2)=C2CCN(C)CC21
InChIInChI=1S/C20H24N2O/c1-3-12-21-20(23)18-10-9-16(15-7-5-4-6-8-15)17-11-13-22(2)14-19(17)18/h1,4-8,18-19H,9-14H2,2H3,(H,21,23)/t18-,19?/m1/s1
InChIKeyAPRDZZRDSIWWQN-MRTLOADZSA-N
MW308.43 g/mol
LogP2.55
Rot. Bonds3

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

(8R)-2-methyl-5-phenyl-N-prop-2-ynyl-3,4,6,7,8,8a-hexahydro-1H-isoquinoline-8-carboxamide (PubChem CID 89293228) has the molecular formula C20H24N2O and a molecular weight of 308.43 g/mol. Its IUPAC name is (8R)-2-methyl-5-phenyl-N-prop-2-ynyl-3,4,6,7,8,8a-hexahydro-1H-isoquinoline-8-carboxamide.

Molecular Properties

Compound Name(8R)-2-methyl-5-phenyl-N-prop-2-ynyl-3,4,6,7,8,8a-hexahydro-1H-isoquinoline-8-carboxamide
PubChem CID89293228
Molecular FormulaC20H24N2O
Molecular Weight308.43 g/mol
Exact Mass308.19
IUPAC Name(8R)-2-methyl-5-phenyl-N-prop-2-ynyl-3,4,6,7,8,8a-hexahydro-1H-isoquinoline-8-carboxamide
SMILESC#CCNC(=O)[C@@H]1CCC(c2ccccc2)=C2CCN(C)CC21
InChIInChI=1S/C20H24N2O/c1-3-12-21-20(23)18-10-9-16(15-7-5-4-6-8-15)17-11-13-22(2)14-19(17)18/h1,4-8,18-19H,9-14H2,2H3,(H,21,23)/t18-,19?/m1/s1
InChIKeyAPRDZZRDSIWWQN-MRTLOADZSA-N
XLogP2.55
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.43
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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

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Related Compounds

(8R)-2-methyl-N,5-diphenyl-3,4,6,7,8,8a-hexahydro-1H-isoquinoline-8-carboxamide
CID 23650808
2-(3-phenylpyrrolidin-1-yl)-N-prop-2-ynylacetamide
CID 78983867
(2S,3S,6S)-6-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-3-hydroxy-N-prop-2-ynyloxane-2-carboxamide
CID 38026117
1-(benzenesulfonyl)-N-prop-2-ynylpiperidine-2-carboxamide
CID 46418890
1-benzyl-2-oxo-N-prop-2-ynylimidazolidine-4-carboxamide
CID 134796340
N-prop-2-ynyltricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene-2-carboxamide
CID 125494989
2-(prop-2-ynylcarbamoyl)cyclopentane-1-carboxylic acid
CID 103977753
(2S,3S)-1-butyl-2-(2-methoxyphenyl)-6-oxo-N-prop-2-ynylpiperidine-3-carboxamide
CID 30535404
(3R)-1-methyl-N-(2-phenylphenyl)pyrrolidine-3-carboxamide
CID 95338002
(3S)-1-methyl-N-(2-phenylphenyl)pyrrolidine-3-carboxamide
CID 95338001
1-(3-phenoxypropanoyl)-N-prop-2-ynylpiperidine-4-carboxamide
CID 51087677
methyl (4S)-1-methyl-3-phenylpiperidine-4-carboxylate
CID 163219557

Frequently Asked Questions

What is the IUPAC name of (8R)-2-methyl-5-phenyl-N-prop-2-ynyl-3,4,6,7,8,8a-hexahydro-1H-isoquinoline-8-carboxamide?
The IUPAC name of (8R)-2-methyl-5-phenyl-N-prop-2-ynyl-3,4,6,7,8,8a-hexahydro-1H-isoquinoline-8-carboxamide (CID 89293228) is (8R)-2-methyl-5-phenyl-N-prop-2-ynyl-3,4,6,7,8,8a-hexahydro-1H-isoquinoline-8-carboxamide.
What is the SMILES notation for (8R)-2-methyl-5-phenyl-N-prop-2-ynyl-3,4,6,7,8,8a-hexahydro-1H-isoquinoline-8-carboxamide?
The canonical SMILES for (8R)-2-methyl-5-phenyl-N-prop-2-ynyl-3,4,6,7,8,8a-hexahydro-1H-isoquinoline-8-carboxamide is C#CCNC(=O)[C@@H]1CCC(c2ccccc2)=C2CCN(C)CC21.
What is the InChIKey of (8R)-2-methyl-5-phenyl-N-prop-2-ynyl-3,4,6,7,8,8a-hexahydro-1H-isoquinoline-8-carboxamide?
The InChIKey is APRDZZRDSIWWQN-MRTLOADZSA-N. The full InChI is InChI=1S/C20H24N2O/c1-3-12-21-20(23)18-10-9-16(15-7-5-4-6-8-15)17-11-13-22(2)14-19(17)18/h1,4-8,18-19H,9-14H2,2H3,(H,21,23)/t18-,19?/m1/s1.
What are the key properties of (8R)-2-methyl-5-phenyl-N-prop-2-ynyl-3,4,6,7,8,8a-hexahydro-1H-isoquinoline-8-carboxamide?
(8R)-2-methyl-5-phenyl-N-prop-2-ynyl-3,4,6,7,8,8a-hexahydro-1H-isoquinoline-8-carboxamide has a molecular weight of 308.43 g/mol, XLogP of 2.55, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (8R)-2-methyl-5-phenyl-N-prop-2-ynyl-3,4,6,7,8,8a-hexahydro-1H-isoquinoline-8-carboxamide is sourced from PubChem (CID 89293228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).