N-(1-hydroxy-2-methylpropan-2-yl)-1,2,3,4-tetrahydroisoquinoline-6-carboxamide

C14H20N2O2 — CID 110489043

IUPACN-(1-hydroxy-2-methylpropan-2-yl)-1,2,3,4-tetrahydroisoquinoline-6-carboxamide
SMILESCC(C)(CO)NC(=O)c1ccc2c(c1)CCNC2
InChIInChI=1S/C14H20N2O2/c1-14(2,9-17)16-13(18)11-3-4-12-8-15-6-5-10(12)7-11/h3-4,7,15,17H,5-6,8-9H2,1-2H3,(H,16,18)
InChIKeyCFRGJWAQZURQFL-UHFFFAOYSA-N
MW248.33 g/mol
LogP0.83
Rot. Bonds3

About N-(1-hydroxy-2-methylpropan-2-yl)-1,2,3,4-tetrahydroisoquinoline-6-carboxamide

N-(1-hydroxy-2-methylpropan-2-yl)-1,2,3,4-tetrahydroisoquinoline-6-carboxamide (PubChem CID 110489043) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is N-(1-hydroxy-2-methylpropan-2-yl)-1,2,3,4-tetrahydroisoquinoline-6-carboxamide.

Molecular Properties

Compound NameN-(1-hydroxy-2-methylpropan-2-yl)-1,2,3,4-tetrahydroisoquinoline-6-carboxamide
PubChem CID110489043
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC NameN-(1-hydroxy-2-methylpropan-2-yl)-1,2,3,4-tetrahydroisoquinoline-6-carboxamide
SMILESCC(C)(CO)NC(=O)c1ccc2c(c1)CCNC2
InChIInChI=1S/C14H20N2O2/c1-14(2,9-17)16-13(18)11-3-4-12-8-15-6-5-10(12)7-11/h3-4,7,15,17H,5-6,8-9H2,1-2H3,(H,16,18)
InChIKeyCFRGJWAQZURQFL-UHFFFAOYSA-N
XLogP0.83
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 50.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-hydroxy-2,2-dimethylbutyl)-1,2,3,4-tetrahydroisoquinoline-7-carboxamide
CID 106148075
N-piperidin-4-yl-1,2,3,4-tetrahydroisoquinoline-6-carboxamide
CID 110489063
N-(1-hydroxy-2-methylpropan-2-yl)naphthalene-2-carboxamide
CID 639967
N-(2-methylbutan-2-yl)-2,3-dihydro-1H-indole-5-carboxamide
CID 43142404
N-methyl-1,2,3,4-tetrahydroisoquinoline-7-carboxamide;2,2,2-trifluoroacetic acid
CID 66898299
N-[3-(dimethylamino)propyl]-1,2,3,4-tetrahydroisoquinoline-6-carboxamide
CID 110489069
methyl 2-(2,3-dihydro-1H-isoindole-5-carbonylamino)-2-methylpropanoate
CID 103998421
3-methyl-2-(1,2,3,4-tetrahydroisoquinoline-6-carbonylamino)butanoic acid
CID 110489057
N-(2-hydroxy-2-methylpentyl)-1,2,3,4-tetrahydroisoquinoline-7-carboxamide
CID 106292129
4-amino-3-fluoro-N-(1-hydroxy-2-methylpropan-2-yl)benzamide
CID 62679848
N-[2-(1,3-thiazol-2-yl)propan-2-yl]-1,2,3,4-tetrahydroisoquinoline-7-carboxamide
CID 105056224
3-amino-N-(1-hydroxy-2-methylpropan-2-yl)benzamide
CID 43498520

Frequently Asked Questions

What is the IUPAC name of N-(1-hydroxy-2-methylpropan-2-yl)-1,2,3,4-tetrahydroisoquinoline-6-carboxamide?
The IUPAC name of N-(1-hydroxy-2-methylpropan-2-yl)-1,2,3,4-tetrahydroisoquinoline-6-carboxamide (CID 110489043) is N-(1-hydroxy-2-methylpropan-2-yl)-1,2,3,4-tetrahydroisoquinoline-6-carboxamide.
What is the SMILES notation for N-(1-hydroxy-2-methylpropan-2-yl)-1,2,3,4-tetrahydroisoquinoline-6-carboxamide?
The canonical SMILES for N-(1-hydroxy-2-methylpropan-2-yl)-1,2,3,4-tetrahydroisoquinoline-6-carboxamide is CC(C)(CO)NC(=O)c1ccc2c(c1)CCNC2.
What is the InChIKey of N-(1-hydroxy-2-methylpropan-2-yl)-1,2,3,4-tetrahydroisoquinoline-6-carboxamide?
The InChIKey is CFRGJWAQZURQFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-14(2,9-17)16-13(18)11-3-4-12-8-15-6-5-10(12)7-11/h3-4,7,15,17H,5-6,8-9H2,1-2H3,(H,16,18).
What are the key properties of N-(1-hydroxy-2-methylpropan-2-yl)-1,2,3,4-tetrahydroisoquinoline-6-carboxamide?
N-(1-hydroxy-2-methylpropan-2-yl)-1,2,3,4-tetrahydroisoquinoline-6-carboxamide has a molecular weight of 248.33 g/mol, XLogP of 0.83, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hydroxy-2-methylpropan-2-yl)-1,2,3,4-tetrahydroisoquinoline-6-carboxamide is sourced from PubChem (CID 110489043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).