N-cyclopropyl-11-(3-pentadecylphenoxy)undecanamide

C35H61NO2 — CID 11584536

IUPACN-cyclopropyl-11-(3-pentadecylphenoxy)undecanamide
SMILESCCCCCCCCCCCCCCCc1cccc(OCCCCCCCCCCC(=O)NC2CC2)c1
InChIInChI=1S/C35H61NO2/c1-2-3-4-5-6-7-8-9-10-11-14-17-20-24-32-25-23-26-34(31-32)38-30-22-19-16-13-12-15-18-21-27-35(37)36-33-28-29-33/h23,25-26,31,33H,2-22,24,27-30H2,1H3,(H,36,37)
InChIKeyHDAIDEKJMHVMRW-UHFFFAOYSA-N
MW527.88 g/mol
LogP10.49
Rot. Bonds27

About N-cyclopropyl-11-(3-pentadecylphenoxy)undecanamide

N-cyclopropyl-11-(3-pentadecylphenoxy)undecanamide (PubChem CID 11584536) has the molecular formula C35H61NO2 and a molecular weight of 527.88 g/mol. Its IUPAC name is N-cyclopropyl-11-(3-pentadecylphenoxy)undecanamide.

Molecular Properties

Compound NameN-cyclopropyl-11-(3-pentadecylphenoxy)undecanamide
PubChem CID11584536
Molecular FormulaC35H61NO2
Molecular Weight527.88 g/mol
Exact Mass527.47
IUPAC NameN-cyclopropyl-11-(3-pentadecylphenoxy)undecanamide
SMILESCCCCCCCCCCCCCCCc1cccc(OCCCCCCCCCCC(=O)NC2CC2)c1
InChIInChI=1S/C35H61NO2/c1-2-3-4-5-6-7-8-9-10-11-14-17-20-24-32-25-23-26-34(31-32)38-30-22-19-16-13-12-15-18-21-27-35(37)36-33-28-29-33/h23,25-26,31,33H,2-22,24,27-30H2,1H3,(H,36,37)
InChIKeyHDAIDEKJMHVMRW-UHFFFAOYSA-N
XLogP10.49
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds27
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500527.88
LogP ≤ 510.49
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-cyclopropyl-11-(3-pentadecylphenoxy)undecanamide?
The IUPAC name of N-cyclopropyl-11-(3-pentadecylphenoxy)undecanamide (CID 11584536) is N-cyclopropyl-11-(3-pentadecylphenoxy)undecanamide.
What is the SMILES notation for N-cyclopropyl-11-(3-pentadecylphenoxy)undecanamide?
The canonical SMILES for N-cyclopropyl-11-(3-pentadecylphenoxy)undecanamide is CCCCCCCCCCCCCCCc1cccc(OCCCCCCCCCCC(=O)NC2CC2)c1.
What is the InChIKey of N-cyclopropyl-11-(3-pentadecylphenoxy)undecanamide?
The InChIKey is HDAIDEKJMHVMRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H61NO2/c1-2-3-4-5-6-7-8-9-10-11-14-17-20-24-32-25-23-26-34(31-32)38-30-22-19-16-13-12-15-18-21-27-35(37)36-33-28-29-33/h23,25-26,31,33H,2-22,24,27-30H2,1H3,(H,36,37).
What are the key properties of N-cyclopropyl-11-(3-pentadecylphenoxy)undecanamide?
N-cyclopropyl-11-(3-pentadecylphenoxy)undecanamide has a molecular weight of 527.88 g/mol, XLogP of 10.49, 27 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-11-(3-pentadecylphenoxy)undecanamide is sourced from PubChem (CID 11584536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).