N-phenylmethoxy-8-(1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)octanamide

C26H33N3O2 — CID 86591429

IUPACN-phenylmethoxy-8-(1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)octanamide
SMILESO=C(CCCCCCCN1CCc2c([nH]c3ccccc23)C1)NOCc1ccccc1
InChIInChI=1S/C26H33N3O2/c30-26(28-31-20-21-11-5-4-6-12-21)15-7-2-1-3-10-17-29-18-16-23-22-13-8-9-14-24(22)27-25(23)19-29/h4-6,8-9,11-14,27H,1-3,7,10,15-20H2,(H,28,30)
InChIKeyFRMORBVSQCHTSG-UHFFFAOYSA-N
MW419.57 g/mol
LogP5.11
Rot. Bonds11

About N-phenylmethoxy-8-(1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)octanamide

N-phenylmethoxy-8-(1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)octanamide (PubChem CID 86591429) has the molecular formula C26H33N3O2 and a molecular weight of 419.57 g/mol. Its IUPAC name is N-phenylmethoxy-8-(1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)octanamide.

Molecular Properties

Compound NameN-phenylmethoxy-8-(1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)octanamide
PubChem CID86591429
Molecular FormulaC26H33N3O2
Molecular Weight419.57 g/mol
Exact Mass419.26
IUPAC NameN-phenylmethoxy-8-(1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)octanamide
SMILESO=C(CCCCCCCN1CCc2c([nH]c3ccccc23)C1)NOCc1ccccc1
InChIInChI=1S/C26H33N3O2/c30-26(28-31-20-21-11-5-4-6-12-21)15-7-2-1-3-10-17-29-18-16-23-22-13-8-9-14-24(22)27-25(23)19-29/h4-6,8-9,11-14,27H,1-3,7,10,15-20H2,(H,28,30)
InChIKeyFRMORBVSQCHTSG-UHFFFAOYSA-N
XLogP5.11
TPSA57.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500419.57
LogP ≤ 55.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-phenylmethoxy-8-(1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)octanamide 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-phenylmethoxy-8-(1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)octanamide?
The IUPAC name of N-phenylmethoxy-8-(1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)octanamide (CID 86591429) is N-phenylmethoxy-8-(1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)octanamide.
What is the SMILES notation for N-phenylmethoxy-8-(1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)octanamide?
The canonical SMILES for N-phenylmethoxy-8-(1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)octanamide is O=C(CCCCCCCN1CCc2c([nH]c3ccccc23)C1)NOCc1ccccc1.
What is the InChIKey of N-phenylmethoxy-8-(1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)octanamide?
The InChIKey is FRMORBVSQCHTSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33N3O2/c30-26(28-31-20-21-11-5-4-6-12-21)15-7-2-1-3-10-17-29-18-16-23-22-13-8-9-14-24(22)27-25(23)19-29/h4-6,8-9,11-14,27H,1-3,7,10,15-20H2,(H,28,30).
What are the key properties of N-phenylmethoxy-8-(1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)octanamide?
N-phenylmethoxy-8-(1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)octanamide has a molecular weight of 419.57 g/mol, XLogP of 5.11, 11 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenylmethoxy-8-(1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)octanamide is sourced from PubChem (CID 86591429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).