(3R)-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide

C16H25N3O2 — CID 106148540

IUPAC(3R)-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
SMILESCN(C)CC(C)(O)CNC(=O)[C@H]1Cc2ccccc2CN1
InChIInChI=1S/C16H25N3O2/c1-16(21,11-19(2)3)10-18-15(20)14-8-12-6-4-5-7-13(12)9-17-14/h4-7,14,17,21H,8-11H2,1-3H3,(H,18,20)/t14-,16?/m1/s1
InChIKeyQVPZQMGGPDMLPE-IURRXHLWSA-N
MW291.39 g/mol
LogP0.13
Rot. Bonds5

About (3R)-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide

(3R)-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide (PubChem CID 106148540) has the molecular formula C16H25N3O2 and a molecular weight of 291.39 g/mol. Its IUPAC name is (3R)-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
PubChem CID106148540
Molecular FormulaC16H25N3O2
Molecular Weight291.39 g/mol
Exact Mass291.19
IUPAC Name(3R)-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
SMILESCN(C)CC(C)(O)CNC(=O)[C@H]1Cc2ccccc2CN1
InChIInChI=1S/C16H25N3O2/c1-16(21,11-19(2)3)10-18-15(20)14-8-12-6-4-5-7-13(12)9-17-14/h4-7,14,17,21H,8-11H2,1-3H3,(H,18,20)/t14-,16?/m1/s1
InChIKeyQVPZQMGGPDMLPE-IURRXHLWSA-N
XLogP0.13
TPSA64.60 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 50.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(dimethylamino)-2-methylpropyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 61250382
(2S)-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-2,3-dihydro-1H-indole-2-carboxamide
CID 106148329
N-(2-methyl-2-methylsulfanylpropyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 115734396
N-(3-amino-2,2-dimethyl-3-oxopropyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 103795639
(3S)-N-[2-(dimethylamino)ethyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 40555754
N-[2-(dimethylamino)ethyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide;dihydrochloride
CID 42948597
(3R)-N',N'-dimethyl-1,2,3,4-tetrahydroisoquinoline-3-carbohydrazide
CID 83021398
(3S)-N-(2,2-difluoro-3-hydroxypropyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 106176629
N-[2-(N-methylanilino)ethyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 119837640
N-(3,3,3-trifluoropropyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 55174369
(3S)-N-(3,3,3-trifluoropropyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 95034741
(3S)-N-[2-[methyl(propan-2-yl)amino]ethyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 104896465

Frequently Asked Questions

What is the IUPAC name of (3R)-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide?
The IUPAC name of (3R)-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide (CID 106148540) is (3R)-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide.
What is the SMILES notation for (3R)-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide?
The canonical SMILES for (3R)-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide is CN(C)CC(C)(O)CNC(=O)[C@H]1Cc2ccccc2CN1.
What is the InChIKey of (3R)-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide?
The InChIKey is QVPZQMGGPDMLPE-IURRXHLWSA-N. The full InChI is InChI=1S/C16H25N3O2/c1-16(21,11-19(2)3)10-18-15(20)14-8-12-6-4-5-7-13(12)9-17-14/h4-7,14,17,21H,8-11H2,1-3H3,(H,18,20)/t14-,16?/m1/s1.
What are the key properties of (3R)-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide?
(3R)-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide has a molecular weight of 291.39 g/mol, XLogP of 0.13, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide is sourced from PubChem (CID 106148540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).