(3S)-N-methyl-N-(oxan-2-ylmethyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide

C17H24N2O2 — CID 104896364

IUPAC(3S)-N-methyl-N-(oxan-2-ylmethyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
SMILESCN(CC1CCCCO1)C(=O)[C@@H]1Cc2ccccc2CN1
InChIInChI=1S/C17H24N2O2/c1-19(12-15-8-4-5-9-21-15)17(20)16-10-13-6-2-3-7-14(13)11-18-16/h2-3,6-7,15-16,18H,4-5,8-12H2,1H3/t15?,16-/m0/s1
InChIKeyQWSJUQSOAJEVPN-LYKKTTPLSA-N
MW288.39 g/mol
LogP1.73
Rot. Bonds3

About (3S)-N-methyl-N-(oxan-2-ylmethyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide

(3S)-N-methyl-N-(oxan-2-ylmethyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide (PubChem CID 104896364) has the molecular formula C17H24N2O2 and a molecular weight of 288.39 g/mol. Its IUPAC name is (3S)-N-methyl-N-(oxan-2-ylmethyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-methyl-N-(oxan-2-ylmethyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
PubChem CID104896364
Molecular FormulaC17H24N2O2
Molecular Weight288.39 g/mol
Exact Mass288.18
IUPAC Name(3S)-N-methyl-N-(oxan-2-ylmethyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
SMILESCN(CC1CCCCO1)C(=O)[C@@H]1Cc2ccccc2CN1
InChIInChI=1S/C17H24N2O2/c1-19(12-15-8-4-5-9-21-15)17(20)16-10-13-6-2-3-7-14(13)11-18-16/h2-3,6-7,15-16,18H,4-5,8-12H2,1H3/t15?,16-/m0/s1
InChIKeyQWSJUQSOAJEVPN-LYKKTTPLSA-N
XLogP1.73
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (3S)-N-methyl-N-(oxan-2-ylmethyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide with MolForge

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Related Compounds

N-methyl-N-(oxan-2-ylmethyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide;hydrochloride
CID 119301969
(3S)-N-(oxan-2-ylmethyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 104896399
N-benzyl-N-methyl-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 24711803
N-methyl-N-[(2-methylphenyl)methyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide;hydrochloride
CID 119267102
(2R)-N-methyl-N-(oxolan-2-ylmethyl)piperidine-2-carboxamide
CID 103808733
N-cyclohexyl-N-ethyl-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 24692970
(3S)-N-methyl-N-(thiophen-2-ylmethyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 104896139
N-[2-(cyclopropylamino)-2-oxoethyl]-N-methyl-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 43579071
(3R)-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 61154242
N-methyl-N-(oxan-2-ylmethyl)cyclopropanecarboxamide
CID 61150958
N,6-dimethyl-N-(oxan-2-ylmethyl)piperidine-2-carboxamide
CID 61436111
(3R)-N-[(4-bromothiophen-2-yl)methyl]-N-methyl-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 61163193

Frequently Asked Questions

What is the IUPAC name of (3S)-N-methyl-N-(oxan-2-ylmethyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide?
The IUPAC name of (3S)-N-methyl-N-(oxan-2-ylmethyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide (CID 104896364) is (3S)-N-methyl-N-(oxan-2-ylmethyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide.
What is the SMILES notation for (3S)-N-methyl-N-(oxan-2-ylmethyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide?
The canonical SMILES for (3S)-N-methyl-N-(oxan-2-ylmethyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide is CN(CC1CCCCO1)C(=O)[C@@H]1Cc2ccccc2CN1.
What is the InChIKey of (3S)-N-methyl-N-(oxan-2-ylmethyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide?
The InChIKey is QWSJUQSOAJEVPN-LYKKTTPLSA-N. The full InChI is InChI=1S/C17H24N2O2/c1-19(12-15-8-4-5-9-21-15)17(20)16-10-13-6-2-3-7-14(13)11-18-16/h2-3,6-7,15-16,18H,4-5,8-12H2,1H3/t15?,16-/m0/s1.
What are the key properties of (3S)-N-methyl-N-(oxan-2-ylmethyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide?
(3S)-N-methyl-N-(oxan-2-ylmethyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide has a molecular weight of 288.39 g/mol, XLogP of 1.73, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-methyl-N-(oxan-2-ylmethyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide is sourced from PubChem (CID 104896364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).