(1R)-1-ethyl-N-(2-methoxyethyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide

C15H22N2O2 — CID 96549151

IUPAC(1R)-1-ethyl-N-(2-methoxyethyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide
SMILESCC[C@@H]1c2ccccc2CCN1C(=O)NCCOC
InChIInChI=1S/C15H22N2O2/c1-3-14-13-7-5-4-6-12(13)8-10-17(14)15(18)16-9-11-19-2/h4-7,14H,3,8-11H2,1-2H3,(H,16,18)/t14-/m1/s1
InChIKeyQJYTYQSYSAYVAU-CQSZACIVSA-N
MW262.35 g/mol
LogP2.35
Rot. Bonds4

About (1R)-1-ethyl-N-(2-methoxyethyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide

(1R)-1-ethyl-N-(2-methoxyethyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide (PubChem CID 96549151) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is (1R)-1-ethyl-N-(2-methoxyethyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide.

Molecular Properties

Compound Name(1R)-1-ethyl-N-(2-methoxyethyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide
PubChem CID96549151
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name(1R)-1-ethyl-N-(2-methoxyethyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide
SMILESCC[C@@H]1c2ccccc2CCN1C(=O)NCCOC
InChIInChI=1S/C15H22N2O2/c1-3-14-13-7-5-4-6-12(13)8-10-17(14)15(18)16-9-11-19-2/h4-7,14H,3,8-11H2,1-2H3,(H,16,18)/t14-/m1/s1
InChIKeyQJYTYQSYSAYVAU-CQSZACIVSA-N
XLogP2.35
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1R)-1-ethyl-N-(2-methoxyethyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide?
The IUPAC name of (1R)-1-ethyl-N-(2-methoxyethyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide (CID 96549151) is (1R)-1-ethyl-N-(2-methoxyethyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide.
What is the SMILES notation for (1R)-1-ethyl-N-(2-methoxyethyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide?
The canonical SMILES for (1R)-1-ethyl-N-(2-methoxyethyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide is CC[C@@H]1c2ccccc2CCN1C(=O)NCCOC.
What is the InChIKey of (1R)-1-ethyl-N-(2-methoxyethyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide?
The InChIKey is QJYTYQSYSAYVAU-CQSZACIVSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-3-14-13-7-5-4-6-12(13)8-10-17(14)15(18)16-9-11-19-2/h4-7,14H,3,8-11H2,1-2H3,(H,16,18)/t14-/m1/s1.
What are the key properties of (1R)-1-ethyl-N-(2-methoxyethyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide?
(1R)-1-ethyl-N-(2-methoxyethyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide has a molecular weight of 262.35 g/mol, XLogP of 2.35, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-ethyl-N-(2-methoxyethyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide is sourced from PubChem (CID 96549151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).