N-cyclopropyl-N-(2-methoxyethyl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide

C16H22N2O2 — CID 65262335

IUPACN-cyclopropyl-N-(2-methoxyethyl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
SMILESCOCCN(C(=O)C1CNCc2ccccc21)C1CC1
InChIInChI=1S/C16H22N2O2/c1-20-9-8-18(13-6-7-13)16(19)15-11-17-10-12-4-2-3-5-14(12)15/h2-5,13,15,17H,6-11H2,1H3
InChIKeyJPKUPMDRGMDTSJ-UHFFFAOYSA-N
MW274.36 g/mol
LogP1.51
Rot. Bonds5

About N-cyclopropyl-N-(2-methoxyethyl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide

N-cyclopropyl-N-(2-methoxyethyl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide (PubChem CID 65262335) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is N-cyclopropyl-N-(2-methoxyethyl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-N-(2-methoxyethyl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
PubChem CID65262335
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC NameN-cyclopropyl-N-(2-methoxyethyl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
SMILESCOCCN(C(=O)C1CNCc2ccccc21)C1CC1
InChIInChI=1S/C16H22N2O2/c1-20-9-8-18(13-6-7-13)16(19)15-11-17-10-12-4-2-3-5-14(12)15/h2-5,13,15,17H,6-11H2,1H3
InChIKeyJPKUPMDRGMDTSJ-UHFFFAOYSA-N
XLogP1.51
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-(2-methoxyethyl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide?
The IUPAC name of N-cyclopropyl-N-(2-methoxyethyl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide (CID 65262335) is N-cyclopropyl-N-(2-methoxyethyl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide.
What is the SMILES notation for N-cyclopropyl-N-(2-methoxyethyl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide?
The canonical SMILES for N-cyclopropyl-N-(2-methoxyethyl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide is COCCN(C(=O)C1CNCc2ccccc21)C1CC1.
What is the InChIKey of N-cyclopropyl-N-(2-methoxyethyl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide?
The InChIKey is JPKUPMDRGMDTSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2/c1-20-9-8-18(13-6-7-13)16(19)15-11-17-10-12-4-2-3-5-14(12)15/h2-5,13,15,17H,6-11H2,1H3.
What are the key properties of N-cyclopropyl-N-(2-methoxyethyl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide?
N-cyclopropyl-N-(2-methoxyethyl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide has a molecular weight of 274.36 g/mol, XLogP of 1.51, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-(2-methoxyethyl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide is sourced from PubChem (CID 65262335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).