N-[1-(dimethylamino)-1-oxopropan-2-yl]-1,2,3,4-tetrahydroisoquinoline-4-carboxamide

C15H21N3O2 — CID 65260559

IUPACN-[1-(dimethylamino)-1-oxopropan-2-yl]-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
SMILESCC(NC(=O)C1CNCc2ccccc21)C(=O)N(C)C
InChIInChI=1S/C15H21N3O2/c1-10(15(20)18(2)3)17-14(19)13-9-16-8-11-6-4-5-7-12(11)13/h4-7,10,13,16H,8-9H2,1-3H3,(H,17,19)
InChIKeyHUROINPULQIJAS-UHFFFAOYSA-N
MW275.35 g/mol
LogP0.47
Rot. Bonds3

About N-[1-(dimethylamino)-1-oxopropan-2-yl]-1,2,3,4-tetrahydroisoquinoline-4-carboxamide

N-[1-(dimethylamino)-1-oxopropan-2-yl]-1,2,3,4-tetrahydroisoquinoline-4-carboxamide (PubChem CID 65260559) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is N-[1-(dimethylamino)-1-oxopropan-2-yl]-1,2,3,4-tetrahydroisoquinoline-4-carboxamide.

Molecular Properties

Compound NameN-[1-(dimethylamino)-1-oxopropan-2-yl]-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
PubChem CID65260559
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC NameN-[1-(dimethylamino)-1-oxopropan-2-yl]-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
SMILESCC(NC(=O)C1CNCc2ccccc21)C(=O)N(C)C
InChIInChI=1S/C15H21N3O2/c1-10(15(20)18(2)3)17-14(19)13-9-16-8-11-6-4-5-7-12(11)13/h4-7,10,13,16H,8-9H2,1-3H3,(H,17,19)
InChIKeyHUROINPULQIJAS-UHFFFAOYSA-N
XLogP0.47
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 50.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[1-(dimethylamino)-1-oxopropan-2-yl]-1,2,3,4-tetrahydroisoquinoline-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[1-(dimethylamino)-1-oxopropan-2-yl]-1,2,3,4-tetrahydroisoquinoline-4-carboxamide?
The IUPAC name of N-[1-(dimethylamino)-1-oxopropan-2-yl]-1,2,3,4-tetrahydroisoquinoline-4-carboxamide (CID 65260559) is N-[1-(dimethylamino)-1-oxopropan-2-yl]-1,2,3,4-tetrahydroisoquinoline-4-carboxamide.
What is the SMILES notation for N-[1-(dimethylamino)-1-oxopropan-2-yl]-1,2,3,4-tetrahydroisoquinoline-4-carboxamide?
The canonical SMILES for N-[1-(dimethylamino)-1-oxopropan-2-yl]-1,2,3,4-tetrahydroisoquinoline-4-carboxamide is CC(NC(=O)C1CNCc2ccccc21)C(=O)N(C)C.
What is the InChIKey of N-[1-(dimethylamino)-1-oxopropan-2-yl]-1,2,3,4-tetrahydroisoquinoline-4-carboxamide?
The InChIKey is HUROINPULQIJAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2/c1-10(15(20)18(2)3)17-14(19)13-9-16-8-11-6-4-5-7-12(11)13/h4-7,10,13,16H,8-9H2,1-3H3,(H,17,19).
What are the key properties of N-[1-(dimethylamino)-1-oxopropan-2-yl]-1,2,3,4-tetrahydroisoquinoline-4-carboxamide?
N-[1-(dimethylamino)-1-oxopropan-2-yl]-1,2,3,4-tetrahydroisoquinoline-4-carboxamide has a molecular weight of 275.35 g/mol, XLogP of 0.47, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(dimethylamino)-1-oxopropan-2-yl]-1,2,3,4-tetrahydroisoquinoline-4-carboxamide is sourced from PubChem (CID 65260559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).