N-cyclooctyl-2-(3-methylphenoxy)propanamide

C18H27NO2 — CID 2976571

IUPACN-cyclooctyl-2-(3-methylphenoxy)propanamide
SMILESCc1cccc(OC(C)C(=O)NC2CCCCCCC2)c1
InChIInChI=1S/C18H27NO2/c1-14-9-8-12-17(13-14)21-15(2)18(20)19-16-10-6-4-3-5-7-11-16/h8-9,12-13,15-16H,3-7,10-11H2,1-2H3,(H,19,20)
InChIKeyDNSDZBPTBNNDGE-UHFFFAOYSA-N
MW289.42 g/mol
LogP3.99
Rot. Bonds4

About N-cyclooctyl-2-(3-methylphenoxy)propanamide

N-cyclooctyl-2-(3-methylphenoxy)propanamide (PubChem CID 2976571) has the molecular formula C18H27NO2 and a molecular weight of 289.42 g/mol. Its IUPAC name is N-cyclooctyl-2-(3-methylphenoxy)propanamide.

Molecular Properties

Compound NameN-cyclooctyl-2-(3-methylphenoxy)propanamide
PubChem CID2976571
Molecular FormulaC18H27NO2
Molecular Weight289.42 g/mol
Exact Mass289.20
IUPAC NameN-cyclooctyl-2-(3-methylphenoxy)propanamide
SMILESCc1cccc(OC(C)C(=O)NC2CCCCCCC2)c1
InChIInChI=1S/C18H27NO2/c1-14-9-8-12-17(13-14)21-15(2)18(20)19-16-10-6-4-3-5-7-11-16/h8-9,12-13,15-16H,3-7,10-11H2,1-2H3,(H,19,20)
InChIKeyDNSDZBPTBNNDGE-UHFFFAOYSA-N
XLogP3.99
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-cyclododecyl-2-(3-methylphenoxy)propanamide
CID 3912808
(2R)-N-cycloheptyl-2-phenoxypropanamide
CID 669971
2-(3-bromophenoxy)-N-cyclopentylpropanamide
CID 43082983
N-cyclooctyl-2-[3-(hydroxymethyl)phenoxy]propanamide
CID 109388759
2-chloro-N-cyclohexyl-5-[2-(3-methylphenoxy)propanoylamino]benzamide
CID 17188475
2-(4-bromo-3-methylphenoxy)-N-cyclohexylpropanamide
CID 83133628
(2S)-2-(3-chlorophenoxy)-N-cyclopropylpropanamide
CID 7722254
N-cyclooctyl-2-(4-fluorophenoxy)propanamide
CID 42909316
N-cycloheptyl-2-(2,3-dimethylphenoxy)propanamide
CID 46771593
2-(3-methylphenoxy)propanehydrazide
CID 3021693
2-(3-methylphenoxy)-N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]propanamide
CID 18143238
2-(4-tert-butylphenoxy)-N-cycloheptylpropanamide
CID 19203440

Frequently Asked Questions

What is the IUPAC name of N-cyclooctyl-2-(3-methylphenoxy)propanamide?
The IUPAC name of N-cyclooctyl-2-(3-methylphenoxy)propanamide (CID 2976571) is N-cyclooctyl-2-(3-methylphenoxy)propanamide.
What is the SMILES notation for N-cyclooctyl-2-(3-methylphenoxy)propanamide?
The canonical SMILES for N-cyclooctyl-2-(3-methylphenoxy)propanamide is Cc1cccc(OC(C)C(=O)NC2CCCCCCC2)c1.
What is the InChIKey of N-cyclooctyl-2-(3-methylphenoxy)propanamide?
The InChIKey is DNSDZBPTBNNDGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO2/c1-14-9-8-12-17(13-14)21-15(2)18(20)19-16-10-6-4-3-5-7-11-16/h8-9,12-13,15-16H,3-7,10-11H2,1-2H3,(H,19,20).
What are the key properties of N-cyclooctyl-2-(3-methylphenoxy)propanamide?
N-cyclooctyl-2-(3-methylphenoxy)propanamide has a molecular weight of 289.42 g/mol, XLogP of 3.99, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclooctyl-2-(3-methylphenoxy)propanamide is sourced from PubChem (CID 2976571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).