N-[2-(1,3,3,7-tetramethyl-8-oxo-2,4,6,7-tetrahydroisoquinolin-6-yl)propan-2-yl]acetamide

C18H28N2O2 — CID 141483932

IUPACN-[2-(1,3,3,7-tetramethyl-8-oxo-2,4,6,7-tetrahydroisoquinolin-6-yl)propan-2-yl]acetamide
SMILESCC(=O)NC(C)(C)C1C=C2CC(C)(C)NC(C)=C2C(=O)C1C
InChIInChI=1S/C18H28N2O2/c1-10-14(18(6,7)20-12(3)21)8-13-9-17(4,5)19-11(2)15(13)16(10)22/h8,10,14,19H,9H2,1-7H3,(H,20,21)
InChIKeyYCVUOIBIXGCURG-UHFFFAOYSA-N
MW304.43 g/mol
LogP2.71
Rot. Bonds2

About N-[2-(1,3,3,7-tetramethyl-8-oxo-2,4,6,7-tetrahydroisoquinolin-6-yl)propan-2-yl]acetamide

N-[2-(1,3,3,7-tetramethyl-8-oxo-2,4,6,7-tetrahydroisoquinolin-6-yl)propan-2-yl]acetamide (PubChem CID 141483932) has the molecular formula C18H28N2O2 and a molecular weight of 304.43 g/mol. Its IUPAC name is N-[2-(1,3,3,7-tetramethyl-8-oxo-2,4,6,7-tetrahydroisoquinolin-6-yl)propan-2-yl]acetamide.

Molecular Properties

Compound NameN-[2-(1,3,3,7-tetramethyl-8-oxo-2,4,6,7-tetrahydroisoquinolin-6-yl)propan-2-yl]acetamide
PubChem CID141483932
Molecular FormulaC18H28N2O2
Molecular Weight304.43 g/mol
Exact Mass304.22
IUPAC NameN-[2-(1,3,3,7-tetramethyl-8-oxo-2,4,6,7-tetrahydroisoquinolin-6-yl)propan-2-yl]acetamide
SMILESCC(=O)NC(C)(C)C1C=C2CC(C)(C)NC(C)=C2C(=O)C1C
InChIInChI=1S/C18H28N2O2/c1-10-14(18(6,7)20-12(3)21)8-13-9-17(4,5)19-11(2)15(13)16(10)22/h8,10,14,19H,9H2,1-7H3,(H,20,21)
InChIKeyYCVUOIBIXGCURG-UHFFFAOYSA-N
XLogP2.71
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.43
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(1,3,3,7-tetramethyl-8-oxo-2,4,6,7-tetrahydroisoquinolin-6-yl)propan-2-yl]acetamide?
The IUPAC name of N-[2-(1,3,3,7-tetramethyl-8-oxo-2,4,6,7-tetrahydroisoquinolin-6-yl)propan-2-yl]acetamide (CID 141483932) is N-[2-(1,3,3,7-tetramethyl-8-oxo-2,4,6,7-tetrahydroisoquinolin-6-yl)propan-2-yl]acetamide.
What is the SMILES notation for N-[2-(1,3,3,7-tetramethyl-8-oxo-2,4,6,7-tetrahydroisoquinolin-6-yl)propan-2-yl]acetamide?
The canonical SMILES for N-[2-(1,3,3,7-tetramethyl-8-oxo-2,4,6,7-tetrahydroisoquinolin-6-yl)propan-2-yl]acetamide is CC(=O)NC(C)(C)C1C=C2CC(C)(C)NC(C)=C2C(=O)C1C.
What is the InChIKey of N-[2-(1,3,3,7-tetramethyl-8-oxo-2,4,6,7-tetrahydroisoquinolin-6-yl)propan-2-yl]acetamide?
The InChIKey is YCVUOIBIXGCURG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O2/c1-10-14(18(6,7)20-12(3)21)8-13-9-17(4,5)19-11(2)15(13)16(10)22/h8,10,14,19H,9H2,1-7H3,(H,20,21).
What are the key properties of N-[2-(1,3,3,7-tetramethyl-8-oxo-2,4,6,7-tetrahydroisoquinolin-6-yl)propan-2-yl]acetamide?
N-[2-(1,3,3,7-tetramethyl-8-oxo-2,4,6,7-tetrahydroisoquinolin-6-yl)propan-2-yl]acetamide has a molecular weight of 304.43 g/mol, XLogP of 2.71, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1,3,3,7-tetramethyl-8-oxo-2,4,6,7-tetrahydroisoquinolin-6-yl)propan-2-yl]acetamide is sourced from PubChem (CID 141483932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).