N-cyclooctyl-2-(2,3,5-trimethylphenoxy)propanamide

C20H31NO2 — CID 46771023

IUPACN-cyclooctyl-2-(2,3,5-trimethylphenoxy)propanamide
SMILESCc1cc(C)c(C)c(OC(C)C(=O)NC2CCCCCCC2)c1
InChIInChI=1S/C20H31NO2/c1-14-12-15(2)16(3)19(13-14)23-17(4)20(22)21-18-10-8-6-5-7-9-11-18/h12-13,17-18H,5-11H2,1-4H3,(H,21,22)
InChIKeyDWXZDSYBFMWQRD-UHFFFAOYSA-N
MW317.47 g/mol
LogP4.61
Rot. Bonds4

About N-cyclooctyl-2-(2,3,5-trimethylphenoxy)propanamide

N-cyclooctyl-2-(2,3,5-trimethylphenoxy)propanamide (PubChem CID 46771023) has the molecular formula C20H31NO2 and a molecular weight of 317.47 g/mol. Its IUPAC name is N-cyclooctyl-2-(2,3,5-trimethylphenoxy)propanamide.

Molecular Properties

Compound NameN-cyclooctyl-2-(2,3,5-trimethylphenoxy)propanamide
PubChem CID46771023
Molecular FormulaC20H31NO2
Molecular Weight317.47 g/mol
Exact Mass317.24
IUPAC NameN-cyclooctyl-2-(2,3,5-trimethylphenoxy)propanamide
SMILESCc1cc(C)c(C)c(OC(C)C(=O)NC2CCCCCCC2)c1
InChIInChI=1S/C20H31NO2/c1-14-12-15(2)16(3)19(13-14)23-17(4)20(22)21-18-10-8-6-5-7-9-11-18/h12-13,17-18H,5-11H2,1-4H3,(H,21,22)
InChIKeyDWXZDSYBFMWQRD-UHFFFAOYSA-N
XLogP4.61
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.47
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-cycloheptyl-2-(2,3-dimethylphenoxy)propanamide
CID 46771593
(2S)-N-cyclooctyl-2-(2-methylphenoxy)propanamide
CID 94842700
N-cyclopentyl-2-[2-[(1S)-1-hydroxyethyl]-5-methylphenoxy]propanamide
CID 63650924
2-[1-(cyclopentylamino)-1-oxopropan-2-yl]oxy-4-methylbenzoic acid
CID 60651700
2-(4-chloro-2-methylphenoxy)-N-cycloheptylpropanamide
CID 2932831
(2S)-N-(2-cyclopentylsulfanylethyl)-2-(2,3,5-trimethylphenoxy)propanamide
CID 100744032
N-cyclododecyl-2-(3-methylphenoxy)propanamide
CID 3912808
N-cyclooctyl-2-(3-methylphenoxy)propanamide
CID 2976571
(2R)-N-cyclopropyl-2-(2,3-dimethylphenoxy)propanamide
CID 39717598
(2R)-N-ethyl-2-(2,3,5-trimethylphenoxy)propanamide
CID 28631725
N-cyclohexyl-2-(2-methoxyphenoxy)propanamide
CID 5003306
2-(4-bromo-3,5-dimethylphenoxy)-N-cyclopentylpropanamide
CID 107723816

Frequently Asked Questions

What is the IUPAC name of N-cyclooctyl-2-(2,3,5-trimethylphenoxy)propanamide?
The IUPAC name of N-cyclooctyl-2-(2,3,5-trimethylphenoxy)propanamide (CID 46771023) is N-cyclooctyl-2-(2,3,5-trimethylphenoxy)propanamide.
What is the SMILES notation for N-cyclooctyl-2-(2,3,5-trimethylphenoxy)propanamide?
The canonical SMILES for N-cyclooctyl-2-(2,3,5-trimethylphenoxy)propanamide is Cc1cc(C)c(C)c(OC(C)C(=O)NC2CCCCCCC2)c1.
What is the InChIKey of N-cyclooctyl-2-(2,3,5-trimethylphenoxy)propanamide?
The InChIKey is DWXZDSYBFMWQRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31NO2/c1-14-12-15(2)16(3)19(13-14)23-17(4)20(22)21-18-10-8-6-5-7-9-11-18/h12-13,17-18H,5-11H2,1-4H3,(H,21,22).
What are the key properties of N-cyclooctyl-2-(2,3,5-trimethylphenoxy)propanamide?
N-cyclooctyl-2-(2,3,5-trimethylphenoxy)propanamide has a molecular weight of 317.47 g/mol, XLogP of 4.61, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclooctyl-2-(2,3,5-trimethylphenoxy)propanamide is sourced from PubChem (CID 46771023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).