N-(1,1-dimethoxypropan-2-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide

C15H22N2O3 — CID 65262356

IUPACN-(1,1-dimethoxypropan-2-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
SMILESCOC(OC)C(C)NC(=O)C1CNCc2ccccc21
InChIInChI=1S/C15H22N2O3/c1-10(15(19-2)20-3)17-14(18)13-9-16-8-11-6-4-5-7-12(11)13/h4-7,10,13,15-16H,8-9H2,1-3H3,(H,17,18)
InChIKeyQPUBMOGRBIJPAZ-UHFFFAOYSA-N
MW278.35 g/mol
LogP1.00
Rot. Bonds5

About N-(1,1-dimethoxypropan-2-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide

N-(1,1-dimethoxypropan-2-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide (PubChem CID 65262356) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is N-(1,1-dimethoxypropan-2-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide.

Molecular Properties

Compound NameN-(1,1-dimethoxypropan-2-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
PubChem CID65262356
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC NameN-(1,1-dimethoxypropan-2-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
SMILESCOC(OC)C(C)NC(=O)C1CNCc2ccccc21
InChIInChI=1S/C15H22N2O3/c1-10(15(19-2)20-3)17-14(18)13-9-16-8-11-6-4-5-7-12(11)13/h4-7,10,13,15-16H,8-9H2,1-3H3,(H,17,18)
InChIKeyQPUBMOGRBIJPAZ-UHFFFAOYSA-N
XLogP1.00
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

(2R)-2-(1,2,3,4-tetrahydroisoquinoline-4-carbonylamino)propanoic acid
CID 65262155
N-(4-methylpentan-2-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
CID 65261033
N-[1-(dimethylamino)-1-oxopropan-2-yl]-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
CID 65260559
N-pent-4-en-2-yl-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
CID 113466553
N-(2-methylpropoxy)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
CID 82722789
(3S)-N-(1,1-dimethoxypropan-2-yl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 104896569
N-[2-(dimethylamino)-3-methylbutyl]-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
CID 65262629
methyl 2-[propan-2-yl(1,2,3,4-tetrahydroisoquinoline-4-carbonyl)amino]acetate
CID 65262240
N-(1-thiophen-2-ylpropan-2-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
CID 65260418
4-hydroxy-2-(1,2,3,4-tetrahydroisoquinoline-4-carbonylamino)butanoic acid
CID 65262532
N-(2-methoxy-2-methylpropyl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
CID 104761331
2-(1,2,3,4-tetrahydroisoquinoline-4-carbonylamino)hexanoic acid
CID 65262053

Frequently Asked Questions

What is the IUPAC name of N-(1,1-dimethoxypropan-2-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide?
The IUPAC name of N-(1,1-dimethoxypropan-2-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide (CID 65262356) is N-(1,1-dimethoxypropan-2-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide.
What is the SMILES notation for N-(1,1-dimethoxypropan-2-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide?
The canonical SMILES for N-(1,1-dimethoxypropan-2-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide is COC(OC)C(C)NC(=O)C1CNCc2ccccc21.
What is the InChIKey of N-(1,1-dimethoxypropan-2-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide?
The InChIKey is QPUBMOGRBIJPAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-10(15(19-2)20-3)17-14(18)13-9-16-8-11-6-4-5-7-12(11)13/h4-7,10,13,15-16H,8-9H2,1-3H3,(H,17,18).
What are the key properties of N-(1,1-dimethoxypropan-2-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide?
N-(1,1-dimethoxypropan-2-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide has a molecular weight of 278.35 g/mol, XLogP of 1.00, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1-dimethoxypropan-2-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide is sourced from PubChem (CID 65262356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).