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

C17H22N2O — CID 10825929

IUPACN-[(6,9-dimethyl-1,2,3,4-tetrahydrocarbazol-4-yl)methyl]acetamide
SMILESCC(=O)NCC1CCCc2c1c1cc(C)ccc1n2C
InChIInChI=1S/C17H22N2O/c1-11-7-8-15-14(9-11)17-13(10-18-12(2)20)5-4-6-16(17)19(15)3/h7-9,13H,4-6,10H2,1-3H3,(H,18,20)
InChIKeyVJMDINDFJUVZNI-UHFFFAOYSA-N
MW270.38 g/mol
LogP3.04
Rot. Bonds2

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

N-[(6,9-dimethyl-1,2,3,4-tetrahydrocarbazol-4-yl)methyl]acetamide (PubChem CID 10825929) has the molecular formula C17H22N2O and a molecular weight of 270.38 g/mol. Its IUPAC name is N-[(6,9-dimethyl-1,2,3,4-tetrahydrocarbazol-4-yl)methyl]acetamide.

Molecular Properties

Compound NameN-[(6,9-dimethyl-1,2,3,4-tetrahydrocarbazol-4-yl)methyl]acetamide
PubChem CID10825929
Molecular FormulaC17H22N2O
Molecular Weight270.38 g/mol
Exact Mass270.17
IUPAC NameN-[(6,9-dimethyl-1,2,3,4-tetrahydrocarbazol-4-yl)methyl]acetamide
SMILESCC(=O)NCC1CCCc2c1c1cc(C)ccc1n2C
InChIInChI=1S/C17H22N2O/c1-11-7-8-15-14(9-11)17-13(10-18-12(2)20)5-4-6-16(17)19(15)3/h7-9,13H,4-6,10H2,1-3H3,(H,18,20)
InChIKeyVJMDINDFJUVZNI-UHFFFAOYSA-N
XLogP3.04
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-[(6,9-dimethyl-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-[(6,9-dimethyl-1,2,3,4-tetrahydrocarbazol-4-yl)methyl]acetamide?
The IUPAC name of N-[(6,9-dimethyl-1,2,3,4-tetrahydrocarbazol-4-yl)methyl]acetamide (CID 10825929) is N-[(6,9-dimethyl-1,2,3,4-tetrahydrocarbazol-4-yl)methyl]acetamide.
What is the SMILES notation for N-[(6,9-dimethyl-1,2,3,4-tetrahydrocarbazol-4-yl)methyl]acetamide?
The canonical SMILES for N-[(6,9-dimethyl-1,2,3,4-tetrahydrocarbazol-4-yl)methyl]acetamide is CC(=O)NCC1CCCc2c1c1cc(C)ccc1n2C.
What is the InChIKey of N-[(6,9-dimethyl-1,2,3,4-tetrahydrocarbazol-4-yl)methyl]acetamide?
The InChIKey is VJMDINDFJUVZNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O/c1-11-7-8-15-14(9-11)17-13(10-18-12(2)20)5-4-6-16(17)19(15)3/h7-9,13H,4-6,10H2,1-3H3,(H,18,20).
What are the key properties of N-[(6,9-dimethyl-1,2,3,4-tetrahydrocarbazol-4-yl)methyl]acetamide?
N-[(6,9-dimethyl-1,2,3,4-tetrahydrocarbazol-4-yl)methyl]acetamide has a molecular weight of 270.38 g/mol, XLogP of 3.04, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6,9-dimethyl-1,2,3,4-tetrahydrocarbazol-4-yl)methyl]acetamide is sourced from PubChem (CID 10825929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).