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

C20H26N2O — CID 10495186

IUPACN-[(6,9-dimethyl-1,2,3,4-tetrahydrocarbazol-4-yl)methyl]cyclobutanecarboxamide
SMILESCc1ccc2c(c1)c1c(n2C)CCCC1CNC(=O)C1CCC1
InChIInChI=1S/C20H26N2O/c1-13-9-10-17-16(11-13)19-15(7-4-8-18(19)22(17)2)12-21-20(23)14-5-3-6-14/h9-11,14-15H,3-8,12H2,1-2H3,(H,21,23)
InChIKeyNSXYIIHSSNBOIP-UHFFFAOYSA-N
MW310.44 g/mol
LogP3.82
Rot. Bonds3

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

N-[(6,9-dimethyl-1,2,3,4-tetrahydrocarbazol-4-yl)methyl]cyclobutanecarboxamide (PubChem CID 10495186) has the molecular formula C20H26N2O and a molecular weight of 310.44 g/mol. Its IUPAC name is N-[(6,9-dimethyl-1,2,3,4-tetrahydrocarbazol-4-yl)methyl]cyclobutanecarboxamide.

Molecular Properties

Compound NameN-[(6,9-dimethyl-1,2,3,4-tetrahydrocarbazol-4-yl)methyl]cyclobutanecarboxamide
PubChem CID10495186
Molecular FormulaC20H26N2O
Molecular Weight310.44 g/mol
Exact Mass310.20
IUPAC NameN-[(6,9-dimethyl-1,2,3,4-tetrahydrocarbazol-4-yl)methyl]cyclobutanecarboxamide
SMILESCc1ccc2c(c1)c1c(n2C)CCCC1CNC(=O)C1CCC1
InChIInChI=1S/C20H26N2O/c1-13-9-10-17-16(11-13)19-15(7-4-8-18(19)22(17)2)12-21-20(23)14-5-3-6-14/h9-11,14-15H,3-8,12H2,1-2H3,(H,21,23)
InChIKeyNSXYIIHSSNBOIP-UHFFFAOYSA-N
XLogP3.82
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.44
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-[(6,9-dimethyl-1,2,3,4-tetrahydrocarbazol-4-yl)methyl]cyclobutanecarboxamide?
The IUPAC name of N-[(6,9-dimethyl-1,2,3,4-tetrahydrocarbazol-4-yl)methyl]cyclobutanecarboxamide (CID 10495186) is N-[(6,9-dimethyl-1,2,3,4-tetrahydrocarbazol-4-yl)methyl]cyclobutanecarboxamide.
What is the SMILES notation for N-[(6,9-dimethyl-1,2,3,4-tetrahydrocarbazol-4-yl)methyl]cyclobutanecarboxamide?
The canonical SMILES for N-[(6,9-dimethyl-1,2,3,4-tetrahydrocarbazol-4-yl)methyl]cyclobutanecarboxamide is Cc1ccc2c(c1)c1c(n2C)CCCC1CNC(=O)C1CCC1.
What is the InChIKey of N-[(6,9-dimethyl-1,2,3,4-tetrahydrocarbazol-4-yl)methyl]cyclobutanecarboxamide?
The InChIKey is NSXYIIHSSNBOIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O/c1-13-9-10-17-16(11-13)19-15(7-4-8-18(19)22(17)2)12-21-20(23)14-5-3-6-14/h9-11,14-15H,3-8,12H2,1-2H3,(H,21,23).
What are the key properties of N-[(6,9-dimethyl-1,2,3,4-tetrahydrocarbazol-4-yl)methyl]cyclobutanecarboxamide?
N-[(6,9-dimethyl-1,2,3,4-tetrahydrocarbazol-4-yl)methyl]cyclobutanecarboxamide has a molecular weight of 310.44 g/mol, XLogP of 3.82, 3 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]cyclobutanecarboxamide is sourced from PubChem (CID 10495186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).