(3R)-N-phenylmethoxy-1,2,3,4-tetrahydroisoquinoline-3-carboxamide

C17H18N2O2 — CID 11044233

IUPAC(3R)-N-phenylmethoxy-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
SMILESO=C(NOCc1ccccc1)[C@H]1Cc2ccccc2CN1
InChIInChI=1S/C17H18N2O2/c20-17(19-21-12-13-6-2-1-3-7-13)16-10-14-8-4-5-9-15(14)11-18-16/h1-9,16,18H,10-12H2,(H,19,20)/t16-/m1/s1
InChIKeySNIAOYGCWJUAQL-MRXNPFEDSA-N
MW282.34 g/mol
LogP1.95
Rot. Bonds4

About (3R)-N-phenylmethoxy-1,2,3,4-tetrahydroisoquinoline-3-carboxamide

(3R)-N-phenylmethoxy-1,2,3,4-tetrahydroisoquinoline-3-carboxamide (PubChem CID 11044233) has the molecular formula C17H18N2O2 and a molecular weight of 282.34 g/mol. Its IUPAC name is (3R)-N-phenylmethoxy-1,2,3,4-tetrahydroisoquinoline-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-phenylmethoxy-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
PubChem CID11044233
Molecular FormulaC17H18N2O2
Molecular Weight282.34 g/mol
Exact Mass282.14
IUPAC Name(3R)-N-phenylmethoxy-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
SMILESO=C(NOCc1ccccc1)[C@H]1Cc2ccccc2CN1
InChIInChI=1S/C17H18N2O2/c20-17(19-21-12-13-6-2-1-3-7-13)16-10-14-8-4-5-9-15(14)11-18-16/h1-9,16,18H,10-12H2,(H,19,20)/t16-/m1/s1
InChIKeySNIAOYGCWJUAQL-MRXNPFEDSA-N
XLogP1.95
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(3R)-N-(2-amino-2-oxoethoxy)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 103955970
benzyl (3S)-1,2,3,4-tetrahydroisoquinoline-3-carboxylate;2,3-dihydroxybutanedioic acid
CID 70089029
(2R)-5-oxo-N-phenylmethoxypyrrolidine-2-carboxamide
CID 103648882
(3S)-N-(1,7-diphenylheptan-4-yl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 15546996
methyl 3-phenyl-2-(1,2,3,4-tetrahydroisoquinoline-3-carbonylamino)propanoate;hydrochloride
CID 119290984
benzyl 4-(1,2,3,4-tetrahydroisoquinoline-3-carbonyl)piperazine-1-carboxylate
CID 58622394
N-[[4-(propan-2-yloxymethyl)phenyl]methyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 75469236
(3R)-N-(5-methylhexan-2-yl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 61154225
(4-bromophenyl)methyl (3S)-1,2,3,4-tetrahydroisoquinoline-3-carboxylate
CID 104895733
N-(2,2-dimethoxyethyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 61274907
methyl (2S)-2-[[(3S)-1,2,3,4-tetrahydroisoquinoline-3-carbonyl]amino]propanoate
CID 93268314
methyl (2S)-2-(1,2,3,4-tetrahydroisoquinoline-3-carbonylamino)propanoate
CID 43709406

Frequently Asked Questions

What is the IUPAC name of (3R)-N-phenylmethoxy-1,2,3,4-tetrahydroisoquinoline-3-carboxamide?
The IUPAC name of (3R)-N-phenylmethoxy-1,2,3,4-tetrahydroisoquinoline-3-carboxamide (CID 11044233) is (3R)-N-phenylmethoxy-1,2,3,4-tetrahydroisoquinoline-3-carboxamide.
What is the SMILES notation for (3R)-N-phenylmethoxy-1,2,3,4-tetrahydroisoquinoline-3-carboxamide?
The canonical SMILES for (3R)-N-phenylmethoxy-1,2,3,4-tetrahydroisoquinoline-3-carboxamide is O=C(NOCc1ccccc1)[C@H]1Cc2ccccc2CN1.
What is the InChIKey of (3R)-N-phenylmethoxy-1,2,3,4-tetrahydroisoquinoline-3-carboxamide?
The InChIKey is SNIAOYGCWJUAQL-MRXNPFEDSA-N. The full InChI is InChI=1S/C17H18N2O2/c20-17(19-21-12-13-6-2-1-3-7-13)16-10-14-8-4-5-9-15(14)11-18-16/h1-9,16,18H,10-12H2,(H,19,20)/t16-/m1/s1.
What are the key properties of (3R)-N-phenylmethoxy-1,2,3,4-tetrahydroisoquinoline-3-carboxamide?
(3R)-N-phenylmethoxy-1,2,3,4-tetrahydroisoquinoline-3-carboxamide has a molecular weight of 282.34 g/mol, XLogP of 1.95, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-phenylmethoxy-1,2,3,4-tetrahydroisoquinoline-3-carboxamide is sourced from PubChem (CID 11044233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).