N-cyclooctyl-2-[[2-(2-methoxyanilino)-2-oxoethyl]-propylamino]acetamide

C22H35N3O3 — CID 27098874

IUPACN-cyclooctyl-2-[[2-(2-methoxyanilino)-2-oxoethyl]-propylamino]acetamide
SMILESCCCN(CC(=O)Nc1ccccc1OC)CC(=O)NC1CCCCCCC1
InChIInChI=1S/C22H35N3O3/c1-3-15-25(16-21(26)23-18-11-7-5-4-6-8-12-18)17-22(27)24-19-13-9-10-14-20(19)28-2/h9-10,13-14,18H,3-8,11-12,15-17H2,1-2H3,(H,23,26)(H,24,27)
InChIKeyLKOQWMKWPGTHGD-UHFFFAOYSA-N
MW389.54 g/mol
LogP3.57
Rot. Bonds9

About N-cyclooctyl-2-[[2-(2-methoxyanilino)-2-oxoethyl]-propylamino]acetamide

N-cyclooctyl-2-[[2-(2-methoxyanilino)-2-oxoethyl]-propylamino]acetamide (PubChem CID 27098874) has the molecular formula C22H35N3O3 and a molecular weight of 389.54 g/mol. Its IUPAC name is N-cyclooctyl-2-[[2-(2-methoxyanilino)-2-oxoethyl]-propylamino]acetamide.

Molecular Properties

Compound NameN-cyclooctyl-2-[[2-(2-methoxyanilino)-2-oxoethyl]-propylamino]acetamide
PubChem CID27098874
Molecular FormulaC22H35N3O3
Molecular Weight389.54 g/mol
Exact Mass389.27
IUPAC NameN-cyclooctyl-2-[[2-(2-methoxyanilino)-2-oxoethyl]-propylamino]acetamide
SMILESCCCN(CC(=O)Nc1ccccc1OC)CC(=O)NC1CCCCCCC1
InChIInChI=1S/C22H35N3O3/c1-3-15-25(16-21(26)23-18-11-7-5-4-6-8-12-18)17-22(27)24-19-13-9-10-14-20(19)28-2/h9-10,13-14,18H,3-8,11-12,15-17H2,1-2H3,(H,23,26)(H,24,27)
InChIKeyLKOQWMKWPGTHGD-UHFFFAOYSA-N
XLogP3.57
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.54
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclohexyl-2-[2-(2-methoxyanilino)-2-oxoethyl]sulfanylacetamide
CID 40588524
[2-(cyclohexylamino)-2-oxoethyl]-[2-(2-methoxyanilino)-2-oxoethyl]-propylazanium
CID 9169067
2-[hexyl(propyl)amino]-N-(2-methoxyphenyl)acetamide
CID 78820994
2-[[2-(cyclopentylcarbamoylamino)-2-oxoethyl]-propylamino]-N-(2-methylphenyl)acetamide
CID 27221599
2-[[2-(2-methoxyanilino)-2-oxoethyl]-propylamino]-N-prop-2-enylacetamide
CID 27239631
N-benzyl-2-[[2-(2-methoxyanilino)-2-oxoethyl]-propylamino]acetamide
CID 9168900
N-(1-adamantylmethyl)-2-[[2-(2-methoxyanilino)-2-oxoethyl]-propylamino]acetamide
CID 9168519
N-cyclohexyl-2-[[2-(2,3-dimethylanilino)-2-oxoethyl]-(2-methoxyethyl)amino]acetamide
CID 17412870
N-[(1S,2S,3S)-2,3-dimethylcyclohexyl]-2-[ethyl-[2-(2-methoxyanilino)-2-oxoethyl]amino]acetamide
CID 11928144
2-[[2-[(1-cyanocyclohexyl)-methylamino]-2-oxoethyl]-propylamino]-N-(2-methoxyphenyl)acetamide
CID 40761196
2-[bis(2-hydroxyethyl)amino]-N-(2-methoxyphenyl)acetamide
CID 18870897
N-(1-ethylpiperidin-4-yl)-2-[[2-(2-methylanilino)-2-oxoethyl]-propylamino]acetamide
CID 78816923

Frequently Asked Questions

What is the IUPAC name of N-cyclooctyl-2-[[2-(2-methoxyanilino)-2-oxoethyl]-propylamino]acetamide?
The IUPAC name of N-cyclooctyl-2-[[2-(2-methoxyanilino)-2-oxoethyl]-propylamino]acetamide (CID 27098874) is N-cyclooctyl-2-[[2-(2-methoxyanilino)-2-oxoethyl]-propylamino]acetamide.
What is the SMILES notation for N-cyclooctyl-2-[[2-(2-methoxyanilino)-2-oxoethyl]-propylamino]acetamide?
The canonical SMILES for N-cyclooctyl-2-[[2-(2-methoxyanilino)-2-oxoethyl]-propylamino]acetamide is CCCN(CC(=O)Nc1ccccc1OC)CC(=O)NC1CCCCCCC1.
What is the InChIKey of N-cyclooctyl-2-[[2-(2-methoxyanilino)-2-oxoethyl]-propylamino]acetamide?
The InChIKey is LKOQWMKWPGTHGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H35N3O3/c1-3-15-25(16-21(26)23-18-11-7-5-4-6-8-12-18)17-22(27)24-19-13-9-10-14-20(19)28-2/h9-10,13-14,18H,3-8,11-12,15-17H2,1-2H3,(H,23,26)(H,24,27).
What are the key properties of N-cyclooctyl-2-[[2-(2-methoxyanilino)-2-oxoethyl]-propylamino]acetamide?
N-cyclooctyl-2-[[2-(2-methoxyanilino)-2-oxoethyl]-propylamino]acetamide has a molecular weight of 389.54 g/mol, XLogP of 3.57, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclooctyl-2-[[2-(2-methoxyanilino)-2-oxoethyl]-propylamino]acetamide is sourced from PubChem (CID 27098874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).