N-cyclopropyl-8-[3-hydroxy-5-(2-methyloctan-2-yl)phenoxy]octanamide

C26H43NO3 — CID 42625202

IUPACN-cyclopropyl-8-[3-hydroxy-5-(2-methyloctan-2-yl)phenoxy]octanamide
SMILESCCCCCCC(C)(C)c1cc(O)cc(OCCCCCCCC(=O)NC2CC2)c1
InChIInChI=1S/C26H43NO3/c1-4-5-6-11-16-26(2,3)21-18-23(28)20-24(19-21)30-17-12-9-7-8-10-13-25(29)27-22-14-15-22/h18-20,22,28H,4-17H2,1-3H3,(H,27,29)
InChIKeyPVAOGZXUOOHSMN-UHFFFAOYSA-N
MW417.63 g/mol
LogP6.64
Rot. Bonds16

About N-cyclopropyl-8-[3-hydroxy-5-(2-methyloctan-2-yl)phenoxy]octanamide

N-cyclopropyl-8-[3-hydroxy-5-(2-methyloctan-2-yl)phenoxy]octanamide (PubChem CID 42625202) has the molecular formula C26H43NO3 and a molecular weight of 417.63 g/mol. Its IUPAC name is N-cyclopropyl-8-[3-hydroxy-5-(2-methyloctan-2-yl)phenoxy]octanamide.

Molecular Properties

Compound NameN-cyclopropyl-8-[3-hydroxy-5-(2-methyloctan-2-yl)phenoxy]octanamide
PubChem CID42625202
Molecular FormulaC26H43NO3
Molecular Weight417.63 g/mol
Exact Mass417.32
IUPAC NameN-cyclopropyl-8-[3-hydroxy-5-(2-methyloctan-2-yl)phenoxy]octanamide
SMILESCCCCCCC(C)(C)c1cc(O)cc(OCCCCCCCC(=O)NC2CC2)c1
InChIInChI=1S/C26H43NO3/c1-4-5-6-11-16-26(2,3)21-18-23(28)20-24(19-21)30-17-12-9-7-8-10-13-25(29)27-22-14-15-22/h18-20,22,28H,4-17H2,1-3H3,(H,27,29)
InChIKeyPVAOGZXUOOHSMN-UHFFFAOYSA-N
XLogP6.64
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds16
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500417.63
LogP ≤ 56.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-8-[3-hydroxy-5-(2-methyloctan-2-yl)phenoxy]octanamide?
The IUPAC name of N-cyclopropyl-8-[3-hydroxy-5-(2-methyloctan-2-yl)phenoxy]octanamide (CID 42625202) is N-cyclopropyl-8-[3-hydroxy-5-(2-methyloctan-2-yl)phenoxy]octanamide.
What is the SMILES notation for N-cyclopropyl-8-[3-hydroxy-5-(2-methyloctan-2-yl)phenoxy]octanamide?
The canonical SMILES for N-cyclopropyl-8-[3-hydroxy-5-(2-methyloctan-2-yl)phenoxy]octanamide is CCCCCCC(C)(C)c1cc(O)cc(OCCCCCCCC(=O)NC2CC2)c1.
What is the InChIKey of N-cyclopropyl-8-[3-hydroxy-5-(2-methyloctan-2-yl)phenoxy]octanamide?
The InChIKey is PVAOGZXUOOHSMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H43NO3/c1-4-5-6-11-16-26(2,3)21-18-23(28)20-24(19-21)30-17-12-9-7-8-10-13-25(29)27-22-14-15-22/h18-20,22,28H,4-17H2,1-3H3,(H,27,29).
What are the key properties of N-cyclopropyl-8-[3-hydroxy-5-(2-methyloctan-2-yl)phenoxy]octanamide?
N-cyclopropyl-8-[3-hydroxy-5-(2-methyloctan-2-yl)phenoxy]octanamide has a molecular weight of 417.63 g/mol, XLogP of 6.64, 16 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-8-[3-hydroxy-5-(2-methyloctan-2-yl)phenoxy]octanamide is sourced from PubChem (CID 42625202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).