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

C15H22N2O3 — CID 106247547

IUPAC(3R)-N-(3-hydroxy-4-methoxybutyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
SMILESCOCC(O)CCNC(=O)[C@H]1Cc2ccccc2CN1
InChIInChI=1S/C15H22N2O3/c1-20-10-13(18)6-7-16-15(19)14-8-11-4-2-3-5-12(11)9-17-14/h2-5,13-14,17-18H,6-10H2,1H3,(H,16,19)/t13?,14-/m1/s1
InChIKeyAYXVMKGHAFYXDF-ARLHGKGLSA-N
MW278.35 g/mol
LogP0.21
Rot. Bonds6

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

(3R)-N-(3-hydroxy-4-methoxybutyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide (PubChem CID 106247547) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is (3R)-N-(3-hydroxy-4-methoxybutyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-(3-hydroxy-4-methoxybutyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
PubChem CID106247547
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Name(3R)-N-(3-hydroxy-4-methoxybutyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
SMILESCOCC(O)CCNC(=O)[C@H]1Cc2ccccc2CN1
InChIInChI=1S/C15H22N2O3/c1-20-10-13(18)6-7-16-15(19)14-8-11-4-2-3-5-12(11)9-17-14/h2-5,13-14,17-18H,6-10H2,1H3,(H,16,19)/t13?,14-/m1/s1
InChIKeyAYXVMKGHAFYXDF-ARLHGKGLSA-N
XLogP0.21
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 50.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze (3R)-N-(3-hydroxy-4-methoxybutyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide with MolForge

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Related Compounds

N-(3-methoxypropyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 4903679
(2S)-2-hydroxy-4-(1,2,3,4-tetrahydroisoquinoline-3-carbonylamino)butanoic acid
CID 107836486
(3R)-N-(4-methylpentyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 61158740
N-(1-methoxypropan-2-yl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 24693482
N-(3-hydroxy-4-methoxybutyl)-1,2,3,4-tetrahydronaphthalene-2-carboxamide
CID 106242608
(3S)-N-[2-(2-methoxyethylamino)-2-oxoethyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 104896839
N-(1-methoxy-3-methylbutan-2-yl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 65048853
(3S)-N-[2-[methyl(propan-2-yl)amino]ethyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 104896465
N-(2,2-dimethoxyethyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 61274907
(3R)-N-(2-hydroxybutyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 113492215
N-[2-(2-hydroxyethoxy)ethyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 61275820
(3S)-N-(3-propoxypropyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 104896803

Frequently Asked Questions

What is the IUPAC name of (3R)-N-(3-hydroxy-4-methoxybutyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide?
The IUPAC name of (3R)-N-(3-hydroxy-4-methoxybutyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide (CID 106247547) is (3R)-N-(3-hydroxy-4-methoxybutyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide.
What is the SMILES notation for (3R)-N-(3-hydroxy-4-methoxybutyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide?
The canonical SMILES for (3R)-N-(3-hydroxy-4-methoxybutyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide is COCC(O)CCNC(=O)[C@H]1Cc2ccccc2CN1.
What is the InChIKey of (3R)-N-(3-hydroxy-4-methoxybutyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide?
The InChIKey is AYXVMKGHAFYXDF-ARLHGKGLSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-20-10-13(18)6-7-16-15(19)14-8-11-4-2-3-5-12(11)9-17-14/h2-5,13-14,17-18H,6-10H2,1H3,(H,16,19)/t13?,14-/m1/s1.
What are the key properties of (3R)-N-(3-hydroxy-4-methoxybutyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide?
(3R)-N-(3-hydroxy-4-methoxybutyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide has a molecular weight of 278.35 g/mol, XLogP of 0.21, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-(3-hydroxy-4-methoxybutyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide is sourced from PubChem (CID 106247547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).