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

C16H24N2O2 — CID 82948210

IUPACN-(2-methoxyethyl)-N-propan-2-yl-1,2,3,4-tetrahydroisoquinoline-1-carboxamide
SMILESCOCCN(C(=O)C1NCCc2ccccc21)C(C)C
InChIInChI=1S/C16H24N2O2/c1-12(2)18(10-11-20-3)16(19)15-14-7-5-4-6-13(14)8-9-17-15/h4-7,12,15,17H,8-11H2,1-3H3
InChIKeyDCRGBOYKHLNFID-UHFFFAOYSA-N
MW276.38 g/mol
LogP1.76
Rot. Bonds5

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

N-(2-methoxyethyl)-N-propan-2-yl-1,2,3,4-tetrahydroisoquinoline-1-carboxamide (PubChem CID 82948210) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is N-(2-methoxyethyl)-N-propan-2-yl-1,2,3,4-tetrahydroisoquinoline-1-carboxamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-N-propan-2-yl-1,2,3,4-tetrahydroisoquinoline-1-carboxamide
PubChem CID82948210
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC NameN-(2-methoxyethyl)-N-propan-2-yl-1,2,3,4-tetrahydroisoquinoline-1-carboxamide
SMILESCOCCN(C(=O)C1NCCc2ccccc21)C(C)C
InChIInChI=1S/C16H24N2O2/c1-12(2)18(10-11-20-3)16(19)15-14-7-5-4-6-13(14)8-9-17-15/h4-7,12,15,17H,8-11H2,1-3H3
InChIKeyDCRGBOYKHLNFID-UHFFFAOYSA-N
XLogP1.76
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-N-propan-2-yl-1,2,3,4-tetrahydroisoquinoline-1-carboxamide?
The IUPAC name of N-(2-methoxyethyl)-N-propan-2-yl-1,2,3,4-tetrahydroisoquinoline-1-carboxamide (CID 82948210) is N-(2-methoxyethyl)-N-propan-2-yl-1,2,3,4-tetrahydroisoquinoline-1-carboxamide.
What is the SMILES notation for N-(2-methoxyethyl)-N-propan-2-yl-1,2,3,4-tetrahydroisoquinoline-1-carboxamide?
The canonical SMILES for N-(2-methoxyethyl)-N-propan-2-yl-1,2,3,4-tetrahydroisoquinoline-1-carboxamide is COCCN(C(=O)C1NCCc2ccccc21)C(C)C.
What is the InChIKey of N-(2-methoxyethyl)-N-propan-2-yl-1,2,3,4-tetrahydroisoquinoline-1-carboxamide?
The InChIKey is DCRGBOYKHLNFID-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-12(2)18(10-11-20-3)16(19)15-14-7-5-4-6-13(14)8-9-17-15/h4-7,12,15,17H,8-11H2,1-3H3.
What are the key properties of N-(2-methoxyethyl)-N-propan-2-yl-1,2,3,4-tetrahydroisoquinoline-1-carboxamide?
N-(2-methoxyethyl)-N-propan-2-yl-1,2,3,4-tetrahydroisoquinoline-1-carboxamide has a molecular weight of 276.38 g/mol, XLogP of 1.76, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-N-propan-2-yl-1,2,3,4-tetrahydroisoquinoline-1-carboxamide is sourced from PubChem (CID 82948210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).