(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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Related Compounds

methyl 4-[(1S)-1-ethyl-3,4-dihydro-1H-isoquinoline-2-carbonyl]benzoate
CID 97027147
(1R)-1-ethyl-N-[6-(methoxymethyl)pyrimidin-4-yl]-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 99577079
N-(2-methoxyethyl)-2,3-dihydroindole-1-carboxamide
CID 47193672
3-[(1-benzyl-3,4-dihydro-1H-isoquinoline-2-carbonyl)amino]propanoic acid
CID 122018056
cyclopent-3-en-1-yl-(1-ethyl-3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 71930116
2-acetyl-N-(3-methoxypropyl)-3,4-dihydro-1H-isoquinoline-1-carboxamide
CID 71838203
1-(hydroxymethyl)-N-[(1-methoxycyclobutyl)methyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 110024403
(1S)-N-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]-1-(hydroxymethyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 97227693
1-(2,3-dihydro-1H-inden-1-yl)-3-(2-methoxyethyl)-1-methylurea
CID 47236430
(1S)-N-(2-methoxyethyl)-1-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxamide
CID 94676881
2-(2-acetyl-3,4-dihydro-1H-isoquinolin-1-yl)-N-ethylacetamide
CID 134049116
(2S)-1-[(1R)-1-ethyl-3,4-dihydro-1H-isoquinolin-2-yl]-3-methoxypropan-2-ol
CID 95627839

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).