N-cyclooctyl-2-[3-(hydroxymethyl)phenoxy]propanamide

C18H27NO3 — CID 109388759

IUPACN-cyclooctyl-2-[3-(hydroxymethyl)phenoxy]propanamide
SMILESCC(Oc1cccc(CO)c1)C(=O)NC1CCCCCCC1
InChIInChI=1S/C18H27NO3/c1-14(22-17-11-7-8-15(12-17)13-20)18(21)19-16-9-5-3-2-4-6-10-16/h7-8,11-12,14,16,20H,2-6,9-10,13H2,1H3,(H,19,21)
InChIKeyHJTXTPAUEHJFTQ-UHFFFAOYSA-N
MW305.42 g/mol
LogP3.18
Rot. Bonds5

About N-cyclooctyl-2-[3-(hydroxymethyl)phenoxy]propanamide

N-cyclooctyl-2-[3-(hydroxymethyl)phenoxy]propanamide (PubChem CID 109388759) has the molecular formula C18H27NO3 and a molecular weight of 305.42 g/mol. Its IUPAC name is N-cyclooctyl-2-[3-(hydroxymethyl)phenoxy]propanamide.

Molecular Properties

Compound NameN-cyclooctyl-2-[3-(hydroxymethyl)phenoxy]propanamide
PubChem CID109388759
Molecular FormulaC18H27NO3
Molecular Weight305.42 g/mol
Exact Mass305.20
IUPAC NameN-cyclooctyl-2-[3-(hydroxymethyl)phenoxy]propanamide
SMILESCC(Oc1cccc(CO)c1)C(=O)NC1CCCCCCC1
InChIInChI=1S/C18H27NO3/c1-14(22-17-11-7-8-15(12-17)13-20)18(21)19-16-9-5-3-2-4-6-10-16/h7-8,11-12,14,16,20H,2-6,9-10,13H2,1H3,(H,19,21)
InChIKeyHJTXTPAUEHJFTQ-UHFFFAOYSA-N
XLogP3.18
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.42
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-cyclooctyl-2-[3-(hydroxymethyl)phenoxy]propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-cyclododecyl-2-(3-methylphenoxy)propanamide
CID 3912808
N-cyclooctyl-2-(3-methylphenoxy)propanamide
CID 2976571
2-[3-(hydroxymethyl)phenoxy]-N-[1-(2-methylpropyl)piperidin-4-yl]propanamide
CID 109388973
N-(1-benzylpiperidin-4-yl)-2-[3-(hydroxymethyl)phenoxy]propanamide
CID 136517640
(2R)-N-cycloheptyl-2-phenoxypropanamide
CID 669971
2-[3-[1-(cyclopropylamino)-1-oxopropan-2-yl]oxyphenyl]acetic acid
CID 61398270
2-(3-bromophenoxy)-N-cyclopentylpropanamide
CID 43082983
N-cyclohexyl-2-[3-(hydroxymethyl)phenoxy]acetamide
CID 28562082
N-(2,3-dihydro-1H-inden-1-yl)-2-[3-(hydroxymethyl)phenoxy]propanamide
CID 109388825
N-benzyl-2-[3-(hydroxymethyl)phenoxy]propanamide
CID 109388625
(2S)-2-(3-chlorophenoxy)-N-cyclopropylpropanamide
CID 7722254
N-cyclooctyl-2-(4-fluorophenoxy)propanamide
CID 42909316

Frequently Asked Questions

What is the IUPAC name of N-cyclooctyl-2-[3-(hydroxymethyl)phenoxy]propanamide?
The IUPAC name of N-cyclooctyl-2-[3-(hydroxymethyl)phenoxy]propanamide (CID 109388759) is N-cyclooctyl-2-[3-(hydroxymethyl)phenoxy]propanamide.
What is the SMILES notation for N-cyclooctyl-2-[3-(hydroxymethyl)phenoxy]propanamide?
The canonical SMILES for N-cyclooctyl-2-[3-(hydroxymethyl)phenoxy]propanamide is CC(Oc1cccc(CO)c1)C(=O)NC1CCCCCCC1.
What is the InChIKey of N-cyclooctyl-2-[3-(hydroxymethyl)phenoxy]propanamide?
The InChIKey is HJTXTPAUEHJFTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO3/c1-14(22-17-11-7-8-15(12-17)13-20)18(21)19-16-9-5-3-2-4-6-10-16/h7-8,11-12,14,16,20H,2-6,9-10,13H2,1H3,(H,19,21).
What are the key properties of N-cyclooctyl-2-[3-(hydroxymethyl)phenoxy]propanamide?
N-cyclooctyl-2-[3-(hydroxymethyl)phenoxy]propanamide has a molecular weight of 305.42 g/mol, XLogP of 3.18, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclooctyl-2-[3-(hydroxymethyl)phenoxy]propanamide is sourced from PubChem (CID 109388759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).