N-[3-(4-methoxy-2,3-dihydro-1H-phenalen-1-yl)propyl]pentanamide

C22H29NO2 — CID 18466087

IUPACN-[3-(4-methoxy-2,3-dihydro-1H-phenalen-1-yl)propyl]pentanamide
SMILESCCCCC(=O)NCCCC1CCc2c(OC)ccc3cccc1c23
InChIInChI=1S/C22H29NO2/c1-3-4-10-21(24)23-15-6-8-16-11-13-19-20(25-2)14-12-17-7-5-9-18(16)22(17)19/h5,7,9,12,14,16H,3-4,6,8,10-11,13,15H2,1-2H3,(H,23,24)
InChIKeyJSLJQGIBJJMRIO-UHFFFAOYSA-N
MW339.48 g/mol
LogP4.96
Rot. Bonds8

About N-[3-(4-methoxy-2,3-dihydro-1H-phenalen-1-yl)propyl]pentanamide

N-[3-(4-methoxy-2,3-dihydro-1H-phenalen-1-yl)propyl]pentanamide (PubChem CID 18466087) has the molecular formula C22H29NO2 and a molecular weight of 339.48 g/mol. Its IUPAC name is N-[3-(4-methoxy-2,3-dihydro-1H-phenalen-1-yl)propyl]pentanamide.

Molecular Properties

Compound NameN-[3-(4-methoxy-2,3-dihydro-1H-phenalen-1-yl)propyl]pentanamide
PubChem CID18466087
Molecular FormulaC22H29NO2
Molecular Weight339.48 g/mol
Exact Mass339.22
IUPAC NameN-[3-(4-methoxy-2,3-dihydro-1H-phenalen-1-yl)propyl]pentanamide
SMILESCCCCC(=O)NCCCC1CCc2c(OC)ccc3cccc1c23
InChIInChI=1S/C22H29NO2/c1-3-4-10-21(24)23-15-6-8-16-11-13-19-20(25-2)14-12-17-7-5-9-18(16)22(17)19/h5,7,9,12,14,16H,3-4,6,8,10-11,13,15H2,1-2H3,(H,23,24)
InChIKeyJSLJQGIBJJMRIO-UHFFFAOYSA-N
XLogP4.96
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.48
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[3-(4-methoxy-2,3-dihydro-1H-phenalen-1-yl)propyl]pentanamide?
The IUPAC name of N-[3-(4-methoxy-2,3-dihydro-1H-phenalen-1-yl)propyl]pentanamide (CID 18466087) is N-[3-(4-methoxy-2,3-dihydro-1H-phenalen-1-yl)propyl]pentanamide.
What is the SMILES notation for N-[3-(4-methoxy-2,3-dihydro-1H-phenalen-1-yl)propyl]pentanamide?
The canonical SMILES for N-[3-(4-methoxy-2,3-dihydro-1H-phenalen-1-yl)propyl]pentanamide is CCCCC(=O)NCCCC1CCc2c(OC)ccc3cccc1c23.
What is the InChIKey of N-[3-(4-methoxy-2,3-dihydro-1H-phenalen-1-yl)propyl]pentanamide?
The InChIKey is JSLJQGIBJJMRIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29NO2/c1-3-4-10-21(24)23-15-6-8-16-11-13-19-20(25-2)14-12-17-7-5-9-18(16)22(17)19/h5,7,9,12,14,16H,3-4,6,8,10-11,13,15H2,1-2H3,(H,23,24).
What are the key properties of N-[3-(4-methoxy-2,3-dihydro-1H-phenalen-1-yl)propyl]pentanamide?
N-[3-(4-methoxy-2,3-dihydro-1H-phenalen-1-yl)propyl]pentanamide has a molecular weight of 339.48 g/mol, XLogP of 4.96, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-methoxy-2,3-dihydro-1H-phenalen-1-yl)propyl]pentanamide is sourced from PubChem (CID 18466087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).