N-butan-2-yl-N-ethyl-1,2,3,4-tetrahydroisoquinoline-4-carboxamide

C16H24N2O — CID 65260889

IUPACN-butan-2-yl-N-ethyl-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
SMILESCCC(C)N(CC)C(=O)C1CNCc2ccccc21
InChIInChI=1S/C16H24N2O/c1-4-12(3)18(5-2)16(19)15-11-17-10-13-8-6-7-9-14(13)15/h6-9,12,15,17H,4-5,10-11H2,1-3H3
InChIKeyHQXCKBZFCMHHAF-UHFFFAOYSA-N
MW260.38 g/mol
LogP2.52
Rot. Bonds4

About N-butan-2-yl-N-ethyl-1,2,3,4-tetrahydroisoquinoline-4-carboxamide

N-butan-2-yl-N-ethyl-1,2,3,4-tetrahydroisoquinoline-4-carboxamide (PubChem CID 65260889) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is N-butan-2-yl-N-ethyl-1,2,3,4-tetrahydroisoquinoline-4-carboxamide.

Molecular Properties

Compound NameN-butan-2-yl-N-ethyl-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
PubChem CID65260889
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC NameN-butan-2-yl-N-ethyl-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
SMILESCCC(C)N(CC)C(=O)C1CNCc2ccccc21
InChIInChI=1S/C16H24N2O/c1-4-12(3)18(5-2)16(19)15-11-17-10-13-8-6-7-9-14(13)15/h6-9,12,15,17H,4-5,10-11H2,1-3H3
InChIKeyHQXCKBZFCMHHAF-UHFFFAOYSA-N
XLogP2.52
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-N-ethyl-1,2,3,4-tetrahydroisoquinoline-4-carboxamide?
The IUPAC name of N-butan-2-yl-N-ethyl-1,2,3,4-tetrahydroisoquinoline-4-carboxamide (CID 65260889) is N-butan-2-yl-N-ethyl-1,2,3,4-tetrahydroisoquinoline-4-carboxamide.
What is the SMILES notation for N-butan-2-yl-N-ethyl-1,2,3,4-tetrahydroisoquinoline-4-carboxamide?
The canonical SMILES for N-butan-2-yl-N-ethyl-1,2,3,4-tetrahydroisoquinoline-4-carboxamide is CCC(C)N(CC)C(=O)C1CNCc2ccccc21.
What is the InChIKey of N-butan-2-yl-N-ethyl-1,2,3,4-tetrahydroisoquinoline-4-carboxamide?
The InChIKey is HQXCKBZFCMHHAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O/c1-4-12(3)18(5-2)16(19)15-11-17-10-13-8-6-7-9-14(13)15/h6-9,12,15,17H,4-5,10-11H2,1-3H3.
What are the key properties of N-butan-2-yl-N-ethyl-1,2,3,4-tetrahydroisoquinoline-4-carboxamide?
N-butan-2-yl-N-ethyl-1,2,3,4-tetrahydroisoquinoline-4-carboxamide has a molecular weight of 260.38 g/mol, XLogP of 2.52, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-N-ethyl-1,2,3,4-tetrahydroisoquinoline-4-carboxamide is sourced from PubChem (CID 65260889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).