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

C20H28N2O2 — CID 10520344

IUPACN-[(6-methoxy-9-methyl-1,2,3,4-tetrahydrocarbazol-4-yl)methyl]pentanamide
SMILESCCCCC(=O)NCC1CCCc2c1c1cc(OC)ccc1n2C
InChIInChI=1S/C20H28N2O2/c1-4-5-9-19(23)21-13-14-7-6-8-18-20(14)16-12-15(24-3)10-11-17(16)22(18)2/h10-12,14H,4-9,13H2,1-3H3,(H,21,23)
InChIKeyFBAYSUPNUJMWMO-UHFFFAOYSA-N
MW328.46 g/mol
LogP3.91
Rot. Bonds6

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

N-[(6-methoxy-9-methyl-1,2,3,4-tetrahydrocarbazol-4-yl)methyl]pentanamide (PubChem CID 10520344) has the molecular formula C20H28N2O2 and a molecular weight of 328.46 g/mol. Its IUPAC name is N-[(6-methoxy-9-methyl-1,2,3,4-tetrahydrocarbazol-4-yl)methyl]pentanamide.

Molecular Properties

Compound NameN-[(6-methoxy-9-methyl-1,2,3,4-tetrahydrocarbazol-4-yl)methyl]pentanamide
PubChem CID10520344
Molecular FormulaC20H28N2O2
Molecular Weight328.46 g/mol
Exact Mass328.22
IUPAC NameN-[(6-methoxy-9-methyl-1,2,3,4-tetrahydrocarbazol-4-yl)methyl]pentanamide
SMILESCCCCC(=O)NCC1CCCc2c1c1cc(OC)ccc1n2C
InChIInChI=1S/C20H28N2O2/c1-4-5-9-19(23)21-13-14-7-6-8-18-20(14)16-12-15(24-3)10-11-17(16)22(18)2/h10-12,14H,4-9,13H2,1-3H3,(H,21,23)
InChIKeyFBAYSUPNUJMWMO-UHFFFAOYSA-N
XLogP3.91
TPSA43.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.46
LogP ≤ 53.91
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)methyl]pentanamide?
The IUPAC name of N-[(6-methoxy-9-methyl-1,2,3,4-tetrahydrocarbazol-4-yl)methyl]pentanamide (CID 10520344) is N-[(6-methoxy-9-methyl-1,2,3,4-tetrahydrocarbazol-4-yl)methyl]pentanamide.
What is the SMILES notation for N-[(6-methoxy-9-methyl-1,2,3,4-tetrahydrocarbazol-4-yl)methyl]pentanamide?
The canonical SMILES for N-[(6-methoxy-9-methyl-1,2,3,4-tetrahydrocarbazol-4-yl)methyl]pentanamide is CCCCC(=O)NCC1CCCc2c1c1cc(OC)ccc1n2C.
What is the InChIKey of N-[(6-methoxy-9-methyl-1,2,3,4-tetrahydrocarbazol-4-yl)methyl]pentanamide?
The InChIKey is FBAYSUPNUJMWMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2O2/c1-4-5-9-19(23)21-13-14-7-6-8-18-20(14)16-12-15(24-3)10-11-17(16)22(18)2/h10-12,14H,4-9,13H2,1-3H3,(H,21,23).
What are the key properties of N-[(6-methoxy-9-methyl-1,2,3,4-tetrahydrocarbazol-4-yl)methyl]pentanamide?
N-[(6-methoxy-9-methyl-1,2,3,4-tetrahydrocarbazol-4-yl)methyl]pentanamide has a molecular weight of 328.46 g/mol, XLogP of 3.91, 6 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]pentanamide is sourced from PubChem (CID 10520344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).