N-(6-methoxy-1,3,4,5-tetrahydrobenzo[cd]indol-4-yl)acetamide

C14H16N2O2 — CID 22101247

IUPACN-(6-methoxy-1,3,4,5-tetrahydrobenzo[cd]indol-4-yl)acetamide
SMILESCOc1ccc2[nH]cc3c2c1CC(NC(C)=O)C3
InChIInChI=1S/C14H16N2O2/c1-8(17)16-10-5-9-7-15-12-3-4-13(18-2)11(6-10)14(9)12/h3-4,7,10,15H,5-6H2,1-2H3,(H,16,17)
InChIKeyPXAVOXIFTCTBHZ-UHFFFAOYSA-N
MW244.29 g/mol
LogP1.78
Rot. Bonds2

About N-(6-methoxy-1,3,4,5-tetrahydrobenzo[cd]indol-4-yl)acetamide

N-(6-methoxy-1,3,4,5-tetrahydrobenzo[cd]indol-4-yl)acetamide (PubChem CID 22101247) has the molecular formula C14H16N2O2 and a molecular weight of 244.29 g/mol. Its IUPAC name is N-(6-methoxy-1,3,4,5-tetrahydrobenzo[cd]indol-4-yl)acetamide.

Molecular Properties

Compound NameN-(6-methoxy-1,3,4,5-tetrahydrobenzo[cd]indol-4-yl)acetamide
PubChem CID22101247
Molecular FormulaC14H16N2O2
Molecular Weight244.29 g/mol
Exact Mass244.12
IUPAC NameN-(6-methoxy-1,3,4,5-tetrahydrobenzo[cd]indol-4-yl)acetamide
SMILESCOc1ccc2[nH]cc3c2c1CC(NC(C)=O)C3
InChIInChI=1S/C14H16N2O2/c1-8(17)16-10-5-9-7-15-12-3-4-13(18-2)11(6-10)14(9)12/h3-4,7,10,15H,5-6H2,1-2H3,(H,16,17)
InChIKeyPXAVOXIFTCTBHZ-UHFFFAOYSA-N
XLogP1.78
TPSA54.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(6-methoxy-1,3,4,5-tetrahydrobenzo[cd]indol-4-yl)acetamide?
The IUPAC name of N-(6-methoxy-1,3,4,5-tetrahydrobenzo[cd]indol-4-yl)acetamide (CID 22101247) is N-(6-methoxy-1,3,4,5-tetrahydrobenzo[cd]indol-4-yl)acetamide.
What is the SMILES notation for N-(6-methoxy-1,3,4,5-tetrahydrobenzo[cd]indol-4-yl)acetamide?
The canonical SMILES for N-(6-methoxy-1,3,4,5-tetrahydrobenzo[cd]indol-4-yl)acetamide is COc1ccc2[nH]cc3c2c1CC(NC(C)=O)C3.
What is the InChIKey of N-(6-methoxy-1,3,4,5-tetrahydrobenzo[cd]indol-4-yl)acetamide?
The InChIKey is PXAVOXIFTCTBHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2/c1-8(17)16-10-5-9-7-15-12-3-4-13(18-2)11(6-10)14(9)12/h3-4,7,10,15H,5-6H2,1-2H3,(H,16,17).
What are the key properties of N-(6-methoxy-1,3,4,5-tetrahydrobenzo[cd]indol-4-yl)acetamide?
N-(6-methoxy-1,3,4,5-tetrahydrobenzo[cd]indol-4-yl)acetamide has a molecular weight of 244.29 g/mol, XLogP of 1.78, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-methoxy-1,3,4,5-tetrahydrobenzo[cd]indol-4-yl)acetamide is sourced from PubChem (CID 22101247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).