N-[(5-methyl-1-phenyl-1,3,4,6-tetrahydro-2,5-benzoxazocin-8-yl)methyl]acetamide

C20H24N2O2 — CID 58592489

IUPACN-[(5-methyl-1-phenyl-1,3,4,6-tetrahydro-2,5-benzoxazocin-8-yl)methyl]acetamide
SMILESCC(=O)NCc1ccc2c(c1)CN(C)CCOC2c1ccccc1
InChIInChI=1S/C20H24N2O2/c1-15(23)21-13-16-8-9-19-18(12-16)14-22(2)10-11-24-20(19)17-6-4-3-5-7-17/h3-9,12,20H,10-11,13-14H2,1-2H3,(H,21,23)
InChIKeyJECUZPVGXQIBKB-UHFFFAOYSA-N
MW324.42 g/mol
LogP2.87
Rot. Bonds3

About N-[(5-methyl-1-phenyl-1,3,4,6-tetrahydro-2,5-benzoxazocin-8-yl)methyl]acetamide

N-[(5-methyl-1-phenyl-1,3,4,6-tetrahydro-2,5-benzoxazocin-8-yl)methyl]acetamide (PubChem CID 58592489) has the molecular formula C20H24N2O2 and a molecular weight of 324.42 g/mol. Its IUPAC name is N-[(5-methyl-1-phenyl-1,3,4,6-tetrahydro-2,5-benzoxazocin-8-yl)methyl]acetamide.

Molecular Properties

Compound NameN-[(5-methyl-1-phenyl-1,3,4,6-tetrahydro-2,5-benzoxazocin-8-yl)methyl]acetamide
PubChem CID58592489
Molecular FormulaC20H24N2O2
Molecular Weight324.42 g/mol
Exact Mass324.18
IUPAC NameN-[(5-methyl-1-phenyl-1,3,4,6-tetrahydro-2,5-benzoxazocin-8-yl)methyl]acetamide
SMILESCC(=O)NCc1ccc2c(c1)CN(C)CCOC2c1ccccc1
InChIInChI=1S/C20H24N2O2/c1-15(23)21-13-16-8-9-19-18(12-16)14-22(2)10-11-24-20(19)17-6-4-3-5-7-17/h3-9,12,20H,10-11,13-14H2,1-2H3,(H,21,23)
InChIKeyJECUZPVGXQIBKB-UHFFFAOYSA-N
XLogP2.87
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.42
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(5-methyl-1-phenyl-1,3,4,6-tetrahydro-2,5-benzoxazocin-8-yl)methyl]acetamide?
The IUPAC name of N-[(5-methyl-1-phenyl-1,3,4,6-tetrahydro-2,5-benzoxazocin-8-yl)methyl]acetamide (CID 58592489) is N-[(5-methyl-1-phenyl-1,3,4,6-tetrahydro-2,5-benzoxazocin-8-yl)methyl]acetamide.
What is the SMILES notation for N-[(5-methyl-1-phenyl-1,3,4,6-tetrahydro-2,5-benzoxazocin-8-yl)methyl]acetamide?
The canonical SMILES for N-[(5-methyl-1-phenyl-1,3,4,6-tetrahydro-2,5-benzoxazocin-8-yl)methyl]acetamide is CC(=O)NCc1ccc2c(c1)CN(C)CCOC2c1ccccc1.
What is the InChIKey of N-[(5-methyl-1-phenyl-1,3,4,6-tetrahydro-2,5-benzoxazocin-8-yl)methyl]acetamide?
The InChIKey is JECUZPVGXQIBKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O2/c1-15(23)21-13-16-8-9-19-18(12-16)14-22(2)10-11-24-20(19)17-6-4-3-5-7-17/h3-9,12,20H,10-11,13-14H2,1-2H3,(H,21,23).
What are the key properties of N-[(5-methyl-1-phenyl-1,3,4,6-tetrahydro-2,5-benzoxazocin-8-yl)methyl]acetamide?
N-[(5-methyl-1-phenyl-1,3,4,6-tetrahydro-2,5-benzoxazocin-8-yl)methyl]acetamide has a molecular weight of 324.42 g/mol, XLogP of 2.87, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methyl-1-phenyl-1,3,4,6-tetrahydro-2,5-benzoxazocin-8-yl)methyl]acetamide is sourced from PubChem (CID 58592489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).