N-[(1R)-1-[(1R)-2-benzyl-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-1-yl]propyl]-2-phenylacetamide

C29H34N2O3 — CID 93151353

IUPACN-[(1R)-1-[(1R)-2-benzyl-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-1-yl]propyl]-2-phenylacetamide
SMILESCC[C@@H](NC(=O)Cc1ccccc1)[C@H]1c2cc(OC)c(OC)cc2CCN1Cc1ccccc1
InChIInChI=1S/C29H34N2O3/c1-4-25(30-28(32)17-21-11-7-5-8-12-21)29-24-19-27(34-3)26(33-2)18-23(24)15-16-31(29)20-22-13-9-6-10-14-22/h5-14,18-19,25,29H,4,15-17,20H2,1-3H3,(H,30,32)/t25-,29-/m1/s1
InChIKeyUULIMZKPEUSURA-VAVYLYDRSA-N
MW458.60 g/mol
LogP4.94
Rot. Bonds9

About N-[(1R)-1-[(1R)-2-benzyl-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-1-yl]propyl]-2-phenylacetamide

N-[(1R)-1-[(1R)-2-benzyl-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-1-yl]propyl]-2-phenylacetamide (PubChem CID 93151353) has the molecular formula C29H34N2O3 and a molecular weight of 458.60 g/mol. Its IUPAC name is N-[(1R)-1-[(1R)-2-benzyl-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-1-yl]propyl]-2-phenylacetamide.

Molecular Properties

Compound NameN-[(1R)-1-[(1R)-2-benzyl-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-1-yl]propyl]-2-phenylacetamide
PubChem CID93151353
Molecular FormulaC29H34N2O3
Molecular Weight458.60 g/mol
Exact Mass458.26
IUPAC NameN-[(1R)-1-[(1R)-2-benzyl-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-1-yl]propyl]-2-phenylacetamide
SMILESCC[C@@H](NC(=O)Cc1ccccc1)[C@H]1c2cc(OC)c(OC)cc2CCN1Cc1ccccc1
InChIInChI=1S/C29H34N2O3/c1-4-25(30-28(32)17-21-11-7-5-8-12-21)29-24-19-27(34-3)26(33-2)18-23(24)15-16-31(29)20-22-13-9-6-10-14-22/h5-14,18-19,25,29H,4,15-17,20H2,1-3H3,(H,30,32)/t25-,29-/m1/s1
InChIKeyUULIMZKPEUSURA-VAVYLYDRSA-N
XLogP4.94
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.60
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(1R)-1-[(1R)-2-benzyl-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-1-yl]propyl]-2-phenylacetamide with MolForge

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Related Compounds

N-[1-(2-benzyl-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-1-yl)propyl]-2-methylpropanamide
CID 42826954
N-[(1R)-1-[(1R)-2-benzyl-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-1-yl]propyl]-3-methoxybenzamide
CID 93151357
N-[(1R)-1-[(1S)-6,7-dimethoxy-2-[(4-methoxyphenyl)methyl]-3,4-dihydro-1H-isoquinolin-1-yl]propyl]benzamide
CID 93151335
2-chloro-N-[1-[2-[(4-fluorophenyl)methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-1-yl]propyl]benzamide
CID 24717875
1-[(1S)-1-[(1S)-2-[(4-fluorophenyl)methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-1-yl]propyl]-3-propan-2-ylurea
CID 93151432
N-[1-(2-benzyl-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-1-yl)ethyl]-2-methylbenzamide
CID 24718041
N-[1-[6,7-dimethoxy-2-[(2-methylphenyl)methyl]-3,4-dihydro-1H-isoquinolin-1-yl]propyl]-4-fluorobenzamide
CID 24717265
1-[(1S)-1-[(1R)-2-benzyl-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-1-yl]ethyl]-3-(4-methylphenyl)urea
CID 93149593
N-[1-[6,7-dimethoxy-2-[(4-methylphenyl)methyl]-3,4-dihydro-1H-isoquinolin-1-yl]ethyl]benzamide
CID 24718023
1-ethyl-3-[1-[2-[(2-fluorophenyl)methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-1-yl]propyl]thiourea
CID 42827022
N-[1-[2-[(3-fluorophenyl)methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-1-yl]propyl]-4-methoxybenzenesulfonamide
CID 42827034
N-[(1S)-1-[(1S)-6,7-dimethoxy-2-[(3-methylphenyl)methyl]-3,4-dihydro-1H-isoquinolin-1-yl]ethyl]-3-methylbutanamide
CID 98688522

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-[(1R)-2-benzyl-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-1-yl]propyl]-2-phenylacetamide?
The IUPAC name of N-[(1R)-1-[(1R)-2-benzyl-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-1-yl]propyl]-2-phenylacetamide (CID 93151353) is N-[(1R)-1-[(1R)-2-benzyl-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-1-yl]propyl]-2-phenylacetamide.
What is the SMILES notation for N-[(1R)-1-[(1R)-2-benzyl-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-1-yl]propyl]-2-phenylacetamide?
The canonical SMILES for N-[(1R)-1-[(1R)-2-benzyl-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-1-yl]propyl]-2-phenylacetamide is CC[C@@H](NC(=O)Cc1ccccc1)[C@H]1c2cc(OC)c(OC)cc2CCN1Cc1ccccc1.
What is the InChIKey of N-[(1R)-1-[(1R)-2-benzyl-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-1-yl]propyl]-2-phenylacetamide?
The InChIKey is UULIMZKPEUSURA-VAVYLYDRSA-N. The full InChI is InChI=1S/C29H34N2O3/c1-4-25(30-28(32)17-21-11-7-5-8-12-21)29-24-19-27(34-3)26(33-2)18-23(24)15-16-31(29)20-22-13-9-6-10-14-22/h5-14,18-19,25,29H,4,15-17,20H2,1-3H3,(H,30,32)/t25-,29-/m1/s1.
What are the key properties of N-[(1R)-1-[(1R)-2-benzyl-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-1-yl]propyl]-2-phenylacetamide?
N-[(1R)-1-[(1R)-2-benzyl-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-1-yl]propyl]-2-phenylacetamide has a molecular weight of 458.60 g/mol, XLogP of 4.94, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-[(1R)-2-benzyl-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-1-yl]propyl]-2-phenylacetamide is sourced from PubChem (CID 93151353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).