N-[(6-methoxy-9-methyl-1,2,3,4-tetrahydrocarbazol-4-yl)methyl]acetamide

C17H22N2O2 — CID 5311004

IUPACN-[(6-methoxy-9-methyl-1,2,3,4-tetrahydrocarbazol-4-yl)methyl]acetamide
SMILESCOc1ccc2c(c1)c1c(n2C)CCCC1CNC(C)=O
InChIInChI=1S/C17H22N2O2/c1-11(20)18-10-12-5-4-6-16-17(12)14-9-13(21-3)7-8-15(14)19(16)2/h7-9,12H,4-6,10H2,1-3H3,(H,18,20)
InChIKeyCYOQJCSHEFAKNY-UHFFFAOYSA-N
MW286.38 g/mol
LogP2.74
Rot. Bonds3

About N-[(6-methoxy-9-methyl-1,2,3,4-tetrahydrocarbazol-4-yl)methyl]acetamide

N-[(6-methoxy-9-methyl-1,2,3,4-tetrahydrocarbazol-4-yl)methyl]acetamide (PubChem CID 5311004) has the molecular formula C17H22N2O2 and a molecular weight of 286.38 g/mol. Its IUPAC name is N-[(6-methoxy-9-methyl-1,2,3,4-tetrahydrocarbazol-4-yl)methyl]acetamide.

Molecular Properties

Compound NameN-[(6-methoxy-9-methyl-1,2,3,4-tetrahydrocarbazol-4-yl)methyl]acetamide
PubChem CID5311004
Molecular FormulaC17H22N2O2
Molecular Weight286.38 g/mol
Exact Mass286.17
IUPAC NameN-[(6-methoxy-9-methyl-1,2,3,4-tetrahydrocarbazol-4-yl)methyl]acetamide
SMILESCOc1ccc2c(c1)c1c(n2C)CCCC1CNC(C)=O
InChIInChI=1S/C17H22N2O2/c1-11(20)18-10-12-5-4-6-16-17(12)14-9-13(21-3)7-8-15(14)19(16)2/h7-9,12H,4-6,10H2,1-3H3,(H,18,20)
InChIKeyCYOQJCSHEFAKNY-UHFFFAOYSA-N
XLogP2.74
TPSA43.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

Analyze N-[(6-methoxy-9-methyl-1,2,3,4-tetrahydrocarbazol-4-yl)methyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(6-methoxy-9-methyl-1,2,3,4-tetrahydrocarbazol-4-yl)methyl]acetamide?
The IUPAC name of N-[(6-methoxy-9-methyl-1,2,3,4-tetrahydrocarbazol-4-yl)methyl]acetamide (CID 5311004) is N-[(6-methoxy-9-methyl-1,2,3,4-tetrahydrocarbazol-4-yl)methyl]acetamide.
What is the SMILES notation for N-[(6-methoxy-9-methyl-1,2,3,4-tetrahydrocarbazol-4-yl)methyl]acetamide?
The canonical SMILES for N-[(6-methoxy-9-methyl-1,2,3,4-tetrahydrocarbazol-4-yl)methyl]acetamide is COc1ccc2c(c1)c1c(n2C)CCCC1CNC(C)=O.
What is the InChIKey of N-[(6-methoxy-9-methyl-1,2,3,4-tetrahydrocarbazol-4-yl)methyl]acetamide?
The InChIKey is CYOQJCSHEFAKNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O2/c1-11(20)18-10-12-5-4-6-16-17(12)14-9-13(21-3)7-8-15(14)19(16)2/h7-9,12H,4-6,10H2,1-3H3,(H,18,20).
What are the key properties of N-[(6-methoxy-9-methyl-1,2,3,4-tetrahydrocarbazol-4-yl)methyl]acetamide?
N-[(6-methoxy-9-methyl-1,2,3,4-tetrahydrocarbazol-4-yl)methyl]acetamide has a molecular weight of 286.38 g/mol, XLogP of 2.74, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-methoxy-9-methyl-1,2,3,4-tetrahydrocarbazol-4-yl)methyl]acetamide is sourced from PubChem (CID 5311004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).