(2S)-N-cyclooctyl-2-(2,3-dimethylphenoxy)butanamide

C20H31NO2 — CID 94027154

IUPAC(2S)-N-cyclooctyl-2-(2,3-dimethylphenoxy)butanamide
SMILESCC[C@H](Oc1cccc(C)c1C)C(=O)NC1CCCCCCC1
InChIInChI=1S/C20H31NO2/c1-4-18(23-19-14-10-11-15(2)16(19)3)20(22)21-17-12-8-6-5-7-9-13-17/h10-11,14,17-18H,4-9,12-13H2,1-3H3,(H,21,22)/t18-/m0/s1
InChIKeyNFKCALSBWNVYQL-SFHVURJKSA-N
MW317.47 g/mol
LogP4.69
Rot. Bonds5

About (2S)-N-cyclooctyl-2-(2,3-dimethylphenoxy)butanamide

(2S)-N-cyclooctyl-2-(2,3-dimethylphenoxy)butanamide (PubChem CID 94027154) has the molecular formula C20H31NO2 and a molecular weight of 317.47 g/mol. Its IUPAC name is (2S)-N-cyclooctyl-2-(2,3-dimethylphenoxy)butanamide.

Molecular Properties

Compound Name(2S)-N-cyclooctyl-2-(2,3-dimethylphenoxy)butanamide
PubChem CID94027154
Molecular FormulaC20H31NO2
Molecular Weight317.47 g/mol
Exact Mass317.24
IUPAC Name(2S)-N-cyclooctyl-2-(2,3-dimethylphenoxy)butanamide
SMILESCC[C@H](Oc1cccc(C)c1C)C(=O)NC1CCCCCCC1
InChIInChI=1S/C20H31NO2/c1-4-18(23-19-14-10-11-15(2)16(19)3)20(22)21-17-12-8-6-5-7-9-13-17/h10-11,14,17-18H,4-9,12-13H2,1-3H3,(H,21,22)/t18-/m0/s1
InChIKeyNFKCALSBWNVYQL-SFHVURJKSA-N
XLogP4.69
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.47
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-N-cyclopentyl-2-(2,3-dimethylphenoxy)butanamide
CID 92677449
N-cycloheptyl-2-(2,3-dimethylphenoxy)propanamide
CID 46771593
(2S)-N-cycloheptyl-2-naphthalen-1-yloxybutanamide
CID 30386318
(2R)-N-cyclohexyl-2-(2-methoxyphenoxy)butanamide
CID 9172985
(2S)-2-(2,3-dimethylphenoxy)-N-[[(2R)-oxolan-2-yl]methyl]butanamide
CID 92676912
2-(2,3-dimethylphenoxy)-N-(2,6-dimethylphenyl)butanamide
CID 46770326
(2R)-N-cyclopropyl-2-(2,3-dimethylphenoxy)propanamide
CID 39717598
N-cyclooctyl-2-(3-methoxyphenoxy)butanamide
CID 46769347
(2R)-N-(2,6-diethylphenyl)-2-(2,3-dimethylphenoxy)butanamide
CID 99955131
(2R)-N-cyclohexyl-2-(4-fluorophenoxy)butanamide
CID 28569448
(2S)-N-cyclopropyl-2-(2-methoxyphenoxy)butanamide
CID 9172668
2-(2,3-dimethylphenoxy)-N-(4-piperidin-1-ylphenyl)butanamide
CID 133166851

Frequently Asked Questions

What is the IUPAC name of (2S)-N-cyclooctyl-2-(2,3-dimethylphenoxy)butanamide?
The IUPAC name of (2S)-N-cyclooctyl-2-(2,3-dimethylphenoxy)butanamide (CID 94027154) is (2S)-N-cyclooctyl-2-(2,3-dimethylphenoxy)butanamide.
What is the SMILES notation for (2S)-N-cyclooctyl-2-(2,3-dimethylphenoxy)butanamide?
The canonical SMILES for (2S)-N-cyclooctyl-2-(2,3-dimethylphenoxy)butanamide is CC[C@H](Oc1cccc(C)c1C)C(=O)NC1CCCCCCC1.
What is the InChIKey of (2S)-N-cyclooctyl-2-(2,3-dimethylphenoxy)butanamide?
The InChIKey is NFKCALSBWNVYQL-SFHVURJKSA-N. The full InChI is InChI=1S/C20H31NO2/c1-4-18(23-19-14-10-11-15(2)16(19)3)20(22)21-17-12-8-6-5-7-9-13-17/h10-11,14,17-18H,4-9,12-13H2,1-3H3,(H,21,22)/t18-/m0/s1.
What are the key properties of (2S)-N-cyclooctyl-2-(2,3-dimethylphenoxy)butanamide?
(2S)-N-cyclooctyl-2-(2,3-dimethylphenoxy)butanamide has a molecular weight of 317.47 g/mol, XLogP of 4.69, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-cyclooctyl-2-(2,3-dimethylphenoxy)butanamide is sourced from PubChem (CID 94027154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).