N-(8-hydroxyoctyl)-1-propylazetidine-2-carboxamide

C15H30N2O2 — CID 154672230

IUPACN-(8-hydroxyoctyl)-1-propylazetidine-2-carboxamide
SMILESCCCN1CCC1C(=O)NCCCCCCCCO
InChIInChI=1S/C15H30N2O2/c1-2-11-17-12-9-14(17)15(19)16-10-7-5-3-4-6-8-13-18/h14,18H,2-13H2,1H3,(H,16,19)
InChIKeyRFWKIZKDEYFIMH-UHFFFAOYSA-N
MW270.42 g/mol
LogP1.92
Rot. Bonds11

About N-(8-hydroxyoctyl)-1-propylazetidine-2-carboxamide

N-(8-hydroxyoctyl)-1-propylazetidine-2-carboxamide (PubChem CID 154672230) has the molecular formula C15H30N2O2 and a molecular weight of 270.42 g/mol. Its IUPAC name is N-(8-hydroxyoctyl)-1-propylazetidine-2-carboxamide.

Molecular Properties

Compound NameN-(8-hydroxyoctyl)-1-propylazetidine-2-carboxamide
PubChem CID154672230
Molecular FormulaC15H30N2O2
Molecular Weight270.42 g/mol
Exact Mass270.23
IUPAC NameN-(8-hydroxyoctyl)-1-propylazetidine-2-carboxamide
SMILESCCCN1CCC1C(=O)NCCCCCCCCO
InChIInChI=1S/C15H30N2O2/c1-2-11-17-12-9-14(17)15(19)16-10-7-5-3-4-6-8-13-18/h14,18H,2-13H2,1H3,(H,16,19)
InChIKeyRFWKIZKDEYFIMH-UHFFFAOYSA-N
XLogP1.92
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.42
LogP ≤ 51.92
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-(8-hydroxyoctyl)-1-propylazetidine-2-carboxamide?
The IUPAC name of N-(8-hydroxyoctyl)-1-propylazetidine-2-carboxamide (CID 154672230) is N-(8-hydroxyoctyl)-1-propylazetidine-2-carboxamide.
What is the SMILES notation for N-(8-hydroxyoctyl)-1-propylazetidine-2-carboxamide?
The canonical SMILES for N-(8-hydroxyoctyl)-1-propylazetidine-2-carboxamide is CCCN1CCC1C(=O)NCCCCCCCCO.
What is the InChIKey of N-(8-hydroxyoctyl)-1-propylazetidine-2-carboxamide?
The InChIKey is RFWKIZKDEYFIMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O2/c1-2-11-17-12-9-14(17)15(19)16-10-7-5-3-4-6-8-13-18/h14,18H,2-13H2,1H3,(H,16,19).
What are the key properties of N-(8-hydroxyoctyl)-1-propylazetidine-2-carboxamide?
N-(8-hydroxyoctyl)-1-propylazetidine-2-carboxamide has a molecular weight of 270.42 g/mol, XLogP of 1.92, 11 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(8-hydroxyoctyl)-1-propylazetidine-2-carboxamide is sourced from PubChem (CID 154672230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).