N-cyclooctyl-2-(3-methoxyphenoxy)butanamide

C19H29NO3 — CID 46769347

IUPACN-cyclooctyl-2-(3-methoxyphenoxy)butanamide
SMILESCCC(Oc1cccc(OC)c1)C(=O)NC1CCCCCCC1
InChIInChI=1S/C19H29NO3/c1-3-18(23-17-13-9-12-16(14-17)22-2)19(21)20-15-10-7-5-4-6-8-11-15/h9,12-15,18H,3-8,10-11H2,1-2H3,(H,20,21)
InChIKeyYOUADNOTLZQDKF-UHFFFAOYSA-N
MW319.44 g/mol
LogP4.08
Rot. Bonds6

About N-cyclooctyl-2-(3-methoxyphenoxy)butanamide

N-cyclooctyl-2-(3-methoxyphenoxy)butanamide (PubChem CID 46769347) has the molecular formula C19H29NO3 and a molecular weight of 319.44 g/mol. Its IUPAC name is N-cyclooctyl-2-(3-methoxyphenoxy)butanamide.

Molecular Properties

Compound NameN-cyclooctyl-2-(3-methoxyphenoxy)butanamide
PubChem CID46769347
Molecular FormulaC19H29NO3
Molecular Weight319.44 g/mol
Exact Mass319.21
IUPAC NameN-cyclooctyl-2-(3-methoxyphenoxy)butanamide
SMILESCCC(Oc1cccc(OC)c1)C(=O)NC1CCCCCCC1
InChIInChI=1S/C19H29NO3/c1-3-18(23-17-13-9-12-16(14-17)22-2)19(21)20-15-10-7-5-4-6-8-11-15/h9,12-15,18H,3-8,10-11H2,1-2H3,(H,20,21)
InChIKeyYOUADNOTLZQDKF-UHFFFAOYSA-N
XLogP4.08
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.44
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclohexyl-2-[[(2R)-2-(3-methoxyphenoxy)butanoyl]amino]benzamide
CID 94012414
(2S)-N-cyclooctyl-2-naphthalen-2-yloxybutanamide
CID 92673860
(2R)-N-cyclohexyl-2-(2-methoxyphenoxy)butanamide
CID 9172985
N-cyclopentyl-2-(3,5-dimethylphenoxy)butanamide
CID 17034466
(2R)-N-cyclohexyl-2-(4-fluorophenoxy)butanamide
CID 28569448
N-cycloheptyl-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butanamide
CID 133264467
(2S)-N-cyclooctyl-2-(2,3-dimethylphenoxy)butanamide
CID 94027154
(2S)-N-cycloheptyl-2-naphthalen-1-yloxybutanamide
CID 30386318
N-cyclohexyl-2-(3-methoxyphenyl)acetamide
CID 16618770
(2R)-N-[(2R)-butan-2-yl]-2-(3-methoxyphenoxy)butanamide
CID 38004454
(2S)-2-(3-methoxyphenoxy)-N-[[(2R)-oxolan-2-yl]methyl]butanamide
CID 92676854
N-cyclohexyl-2-[2-(4-methoxyphenoxy)butanoylamino]benzamide
CID 21368361

Frequently Asked Questions

What is the IUPAC name of N-cyclooctyl-2-(3-methoxyphenoxy)butanamide?
The IUPAC name of N-cyclooctyl-2-(3-methoxyphenoxy)butanamide (CID 46769347) is N-cyclooctyl-2-(3-methoxyphenoxy)butanamide.
What is the SMILES notation for N-cyclooctyl-2-(3-methoxyphenoxy)butanamide?
The canonical SMILES for N-cyclooctyl-2-(3-methoxyphenoxy)butanamide is CCC(Oc1cccc(OC)c1)C(=O)NC1CCCCCCC1.
What is the InChIKey of N-cyclooctyl-2-(3-methoxyphenoxy)butanamide?
The InChIKey is YOUADNOTLZQDKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29NO3/c1-3-18(23-17-13-9-12-16(14-17)22-2)19(21)20-15-10-7-5-4-6-8-11-15/h9,12-15,18H,3-8,10-11H2,1-2H3,(H,20,21).
What are the key properties of N-cyclooctyl-2-(3-methoxyphenoxy)butanamide?
N-cyclooctyl-2-(3-methoxyphenoxy)butanamide has a molecular weight of 319.44 g/mol, XLogP of 4.08, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclooctyl-2-(3-methoxyphenoxy)butanamide is sourced from PubChem (CID 46769347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).