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

C16H20N2O2 — CID 10265261

IUPACN-(6-methoxy-9-methyl-1,2,3,4-tetrahydrocarbazol-4-yl)acetamide
SMILESCOc1ccc2c(c1)c1c(n2C)CCCC1NC(C)=O
InChIInChI=1S/C16H20N2O2/c1-10(19)17-13-5-4-6-15-16(13)12-9-11(20-3)7-8-14(12)18(15)2/h7-9,13H,4-6H2,1-3H3,(H,17,19)
InChIKeyWBKWBPKZIIWMCD-UHFFFAOYSA-N
MW272.35 g/mol
LogP2.70
Rot. Bonds2

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

N-(6-methoxy-9-methyl-1,2,3,4-tetrahydrocarbazol-4-yl)acetamide (PubChem CID 10265261) has the molecular formula C16H20N2O2 and a molecular weight of 272.35 g/mol. Its IUPAC name is N-(6-methoxy-9-methyl-1,2,3,4-tetrahydrocarbazol-4-yl)acetamide.

Molecular Properties

Compound NameN-(6-methoxy-9-methyl-1,2,3,4-tetrahydrocarbazol-4-yl)acetamide
PubChem CID10265261
Molecular FormulaC16H20N2O2
Molecular Weight272.35 g/mol
Exact Mass272.15
IUPAC NameN-(6-methoxy-9-methyl-1,2,3,4-tetrahydrocarbazol-4-yl)acetamide
SMILESCOc1ccc2c(c1)c1c(n2C)CCCC1NC(C)=O
InChIInChI=1S/C16H20N2O2/c1-10(19)17-13-5-4-6-15-16(13)12-9-11(20-3)7-8-14(12)18(15)2/h7-9,13H,4-6H2,1-3H3,(H,17,19)
InChIKeyWBKWBPKZIIWMCD-UHFFFAOYSA-N
XLogP2.70
TPSA43.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(6-methoxy-9-methyl-1,2,3,4-tetrahydrocarbazol-4-yl)acetamide?
The IUPAC name of N-(6-methoxy-9-methyl-1,2,3,4-tetrahydrocarbazol-4-yl)acetamide (CID 10265261) is N-(6-methoxy-9-methyl-1,2,3,4-tetrahydrocarbazol-4-yl)acetamide.
What is the SMILES notation for N-(6-methoxy-9-methyl-1,2,3,4-tetrahydrocarbazol-4-yl)acetamide?
The canonical SMILES for N-(6-methoxy-9-methyl-1,2,3,4-tetrahydrocarbazol-4-yl)acetamide is COc1ccc2c(c1)c1c(n2C)CCCC1NC(C)=O.
What is the InChIKey of N-(6-methoxy-9-methyl-1,2,3,4-tetrahydrocarbazol-4-yl)acetamide?
The InChIKey is WBKWBPKZIIWMCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2/c1-10(19)17-13-5-4-6-15-16(13)12-9-11(20-3)7-8-14(12)18(15)2/h7-9,13H,4-6H2,1-3H3,(H,17,19).
What are the key properties of N-(6-methoxy-9-methyl-1,2,3,4-tetrahydrocarbazol-4-yl)acetamide?
N-(6-methoxy-9-methyl-1,2,3,4-tetrahydrocarbazol-4-yl)acetamide has a molecular weight of 272.35 g/mol, XLogP of 2.70, 2 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)acetamide is sourced from PubChem (CID 10265261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).