2-[(12-methyl-10-tetracyclo[8.3.1.18,12.02,7]pentadeca-2,4,6-trienyl)amino]acetamide

C18H24N2O — CID 118722532

IUPAC2-[(12-methyl-10-tetracyclo[8.3.1.18,12.02,7]pentadeca-2,4,6-trienyl)amino]acetamide
SMILESCC12CC3CC(NCC(N)=O)(CC(C1)c1ccccc13)C2
InChIInChI=1S/C18H24N2O/c1-17-6-12-8-18(11-17,20-10-16(19)21)9-13(7-17)15-5-3-2-4-14(12)15/h2-5,12-13,20H,6-11H2,1H3,(H2,19,21)
InChIKeyJXQHXYROXIOBNQ-UHFFFAOYSA-N
MW284.40 g/mol
LogP2.67
Rot. Bonds3

About 2-[(12-methyl-10-tetracyclo[8.3.1.18,12.02,7]pentadeca-2,4,6-trienyl)amino]acetamide

2-[(12-methyl-10-tetracyclo[8.3.1.18,12.02,7]pentadeca-2,4,6-trienyl)amino]acetamide (PubChem CID 118722532) has the molecular formula C18H24N2O and a molecular weight of 284.40 g/mol. Its IUPAC name is 2-[(12-methyl-10-tetracyclo[8.3.1.18,12.02,7]pentadeca-2,4,6-trienyl)amino]acetamide.

Molecular Properties

Compound Name2-[(12-methyl-10-tetracyclo[8.3.1.18,12.02,7]pentadeca-2,4,6-trienyl)amino]acetamide
PubChem CID118722532
Molecular FormulaC18H24N2O
Molecular Weight284.40 g/mol
Exact Mass284.19
IUPAC Name2-[(12-methyl-10-tetracyclo[8.3.1.18,12.02,7]pentadeca-2,4,6-trienyl)amino]acetamide
SMILESCC12CC3CC(NCC(N)=O)(CC(C1)c1ccccc13)C2
InChIInChI=1S/C18H24N2O/c1-17-6-12-8-18(11-17,20-10-16(19)21)9-13(7-17)15-5-3-2-4-14(12)15/h2-5,12-13,20H,6-11H2,1H3,(H2,19,21)
InChIKeyJXQHXYROXIOBNQ-UHFFFAOYSA-N
XLogP2.67
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(12-methyl-10-tetracyclo[8.3.1.18,12.02,7]pentadeca-2,4,6-trienyl)amino]acetamide?
The IUPAC name of 2-[(12-methyl-10-tetracyclo[8.3.1.18,12.02,7]pentadeca-2,4,6-trienyl)amino]acetamide (CID 118722532) is 2-[(12-methyl-10-tetracyclo[8.3.1.18,12.02,7]pentadeca-2,4,6-trienyl)amino]acetamide.
What is the SMILES notation for 2-[(12-methyl-10-tetracyclo[8.3.1.18,12.02,7]pentadeca-2,4,6-trienyl)amino]acetamide?
The canonical SMILES for 2-[(12-methyl-10-tetracyclo[8.3.1.18,12.02,7]pentadeca-2,4,6-trienyl)amino]acetamide is CC12CC3CC(NCC(N)=O)(CC(C1)c1ccccc13)C2.
What is the InChIKey of 2-[(12-methyl-10-tetracyclo[8.3.1.18,12.02,7]pentadeca-2,4,6-trienyl)amino]acetamide?
The InChIKey is JXQHXYROXIOBNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O/c1-17-6-12-8-18(11-17,20-10-16(19)21)9-13(7-17)15-5-3-2-4-14(12)15/h2-5,12-13,20H,6-11H2,1H3,(H2,19,21).
What are the key properties of 2-[(12-methyl-10-tetracyclo[8.3.1.18,12.02,7]pentadeca-2,4,6-trienyl)amino]acetamide?
2-[(12-methyl-10-tetracyclo[8.3.1.18,12.02,7]pentadeca-2,4,6-trienyl)amino]acetamide has a molecular weight of 284.40 g/mol, XLogP of 2.67, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(12-methyl-10-tetracyclo[8.3.1.18,12.02,7]pentadeca-2,4,6-trienyl)amino]acetamide is sourced from PubChem (CID 118722532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).