(1R)-N,N-dimethyl-1-phenyl-1,2,3,4-tetrahydroisoquinoline-7-carboxamide

C18H20N2O — CID 170646570

IUPAC(1R)-N,N-dimethyl-1-phenyl-1,2,3,4-tetrahydroisoquinoline-7-carboxamide
SMILESCN(C)C(=O)c1ccc2c(c1)[C@@H](c1ccccc1)NCC2
InChIInChI=1S/C18H20N2O/c1-20(2)18(21)15-9-8-13-10-11-19-17(16(13)12-15)14-6-4-3-5-7-14/h3-9,12,17,19H,10-11H2,1-2H3/t17-/m1/s1
InChIKeyWGKBRZZVSMRZHE-QGZVFWFLSA-N
MW280.37 g/mol
LogP2.62
Rot. Bonds2

About (1R)-N,N-dimethyl-1-phenyl-1,2,3,4-tetrahydroisoquinoline-7-carboxamide

(1R)-N,N-dimethyl-1-phenyl-1,2,3,4-tetrahydroisoquinoline-7-carboxamide (PubChem CID 170646570) has the molecular formula C18H20N2O and a molecular weight of 280.37 g/mol. Its IUPAC name is (1R)-N,N-dimethyl-1-phenyl-1,2,3,4-tetrahydroisoquinoline-7-carboxamide.

Molecular Properties

Compound Name(1R)-N,N-dimethyl-1-phenyl-1,2,3,4-tetrahydroisoquinoline-7-carboxamide
PubChem CID170646570
Molecular FormulaC18H20N2O
Molecular Weight280.37 g/mol
Exact Mass280.16
IUPAC Name(1R)-N,N-dimethyl-1-phenyl-1,2,3,4-tetrahydroisoquinoline-7-carboxamide
SMILESCN(C)C(=O)c1ccc2c(c1)[C@@H](c1ccccc1)NCC2
InChIInChI=1S/C18H20N2O/c1-20(2)18(21)15-9-8-13-10-11-19-17(16(13)12-15)14-6-4-3-5-7-14/h3-9,12,17,19H,10-11H2,1-2H3/t17-/m1/s1
InChIKeyWGKBRZZVSMRZHE-QGZVFWFLSA-N
XLogP2.62
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1R)-N,N-dimethyl-1-phenyl-1,2,3,4-tetrahydroisoquinoline-7-carboxamide?
The IUPAC name of (1R)-N,N-dimethyl-1-phenyl-1,2,3,4-tetrahydroisoquinoline-7-carboxamide (CID 170646570) is (1R)-N,N-dimethyl-1-phenyl-1,2,3,4-tetrahydroisoquinoline-7-carboxamide.
What is the SMILES notation for (1R)-N,N-dimethyl-1-phenyl-1,2,3,4-tetrahydroisoquinoline-7-carboxamide?
The canonical SMILES for (1R)-N,N-dimethyl-1-phenyl-1,2,3,4-tetrahydroisoquinoline-7-carboxamide is CN(C)C(=O)c1ccc2c(c1)[C@@H](c1ccccc1)NCC2.
What is the InChIKey of (1R)-N,N-dimethyl-1-phenyl-1,2,3,4-tetrahydroisoquinoline-7-carboxamide?
The InChIKey is WGKBRZZVSMRZHE-QGZVFWFLSA-N. The full InChI is InChI=1S/C18H20N2O/c1-20(2)18(21)15-9-8-13-10-11-19-17(16(13)12-15)14-6-4-3-5-7-14/h3-9,12,17,19H,10-11H2,1-2H3/t17-/m1/s1.
What are the key properties of (1R)-N,N-dimethyl-1-phenyl-1,2,3,4-tetrahydroisoquinoline-7-carboxamide?
(1R)-N,N-dimethyl-1-phenyl-1,2,3,4-tetrahydroisoquinoline-7-carboxamide has a molecular weight of 280.37 g/mol, XLogP of 2.62, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-N,N-dimethyl-1-phenyl-1,2,3,4-tetrahydroisoquinoline-7-carboxamide is sourced from PubChem (CID 170646570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).