2-[[2-[(1-cyanocyclohexyl)-methylamino]-2-oxoethyl]-propylamino]-N-(2-methoxyphenyl)acetamide

C22H32N4O3 — CID 40761196

IUPAC2-[[2-[(1-cyanocyclohexyl)-methylamino]-2-oxoethyl]-propylamino]-N-(2-methoxyphenyl)acetamide
SMILESCCCN(CC(=O)Nc1ccccc1OC)CC(=O)N(C)C1(C#N)CCCCC1
InChIInChI=1S/C22H32N4O3/c1-4-14-26(15-20(27)24-18-10-6-7-11-19(18)29-3)16-21(28)25(2)22(17-23)12-8-5-9-13-22/h6-7,10-11H,4-5,8-9,12-16H2,1-3H3,(H,24,27)
InChIKeyFVAZODYYTUJYDA-UHFFFAOYSA-N
MW400.52 g/mol
LogP3.03
Rot. Bonds9

About 2-[[2-[(1-cyanocyclohexyl)-methylamino]-2-oxoethyl]-propylamino]-N-(2-methoxyphenyl)acetamide

2-[[2-[(1-cyanocyclohexyl)-methylamino]-2-oxoethyl]-propylamino]-N-(2-methoxyphenyl)acetamide (PubChem CID 40761196) has the molecular formula C22H32N4O3 and a molecular weight of 400.52 g/mol. Its IUPAC name is 2-[[2-[(1-cyanocyclohexyl)-methylamino]-2-oxoethyl]-propylamino]-N-(2-methoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[[2-[(1-cyanocyclohexyl)-methylamino]-2-oxoethyl]-propylamino]-N-(2-methoxyphenyl)acetamide
PubChem CID40761196
Molecular FormulaC22H32N4O3
Molecular Weight400.52 g/mol
Exact Mass400.25
IUPAC Name2-[[2-[(1-cyanocyclohexyl)-methylamino]-2-oxoethyl]-propylamino]-N-(2-methoxyphenyl)acetamide
SMILESCCCN(CC(=O)Nc1ccccc1OC)CC(=O)N(C)C1(C#N)CCCCC1
InChIInChI=1S/C22H32N4O3/c1-4-14-26(15-20(27)24-18-10-6-7-11-19(18)29-3)16-21(28)25(2)22(17-23)12-8-5-9-13-22/h6-7,10-11H,4-5,8-9,12-16H2,1-3H3,(H,24,27)
InChIKeyFVAZODYYTUJYDA-UHFFFAOYSA-N
XLogP3.03
TPSA85.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.52
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[[2-[(1-cyanocyclohexyl)-methylamino]-2-oxoethyl]-propylamino]-N-(2-methoxyphenyl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-cyclooctyl-2-[[2-(2-methoxyanilino)-2-oxoethyl]-propylamino]acetamide
CID 27098874
2-[hexyl(propyl)amino]-N-(2-methoxyphenyl)acetamide
CID 78820994
N-(1-adamantylmethyl)-2-[[2-(2-methoxyanilino)-2-oxoethyl]-propylamino]acetamide
CID 9168519
2-[[2-[(3,4-dimethoxyphenyl)methyl-methylamino]-2-oxoethyl]-propylamino]-N-(2-methoxyphenyl)acetamide
CID 24534367
N-benzyl-2-[[2-(2-methoxyanilino)-2-oxoethyl]-propylamino]acetamide
CID 9168900
2-[[2-(2-methoxyanilino)-2-oxoethyl]-propylamino]-N-prop-2-enylacetamide
CID 27239631
N-(2-methoxyphenyl)-2-[[2-[methyl(thiophen-2-ylmethyl)amino]-2-oxoethyl]-propylamino]acetamide
CID 51171423
N-(1-cyanocyclohexyl)-N-methyl-2-(2-phenoxyanilino)acetamide
CID 32899810
2-[[2-(5-chloro-2-cyanoanilino)-2-oxoethyl]-propylamino]-N-(2-methoxyphenyl)acetamide
CID 9168823
2-[bis(2-hydroxyethyl)amino]-N-(2-methoxyphenyl)acetamide
CID 18870897
2-[(1-hydroxycyclopentyl)methylamino]-N-(2-methoxyphenyl)acetamide
CID 65109213
2-[butyl(methyl)amino]-N-(2-methoxyphenyl)acetamide
CID 109006138

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[(1-cyanocyclohexyl)-methylamino]-2-oxoethyl]-propylamino]-N-(2-methoxyphenyl)acetamide?
The IUPAC name of 2-[[2-[(1-cyanocyclohexyl)-methylamino]-2-oxoethyl]-propylamino]-N-(2-methoxyphenyl)acetamide (CID 40761196) is 2-[[2-[(1-cyanocyclohexyl)-methylamino]-2-oxoethyl]-propylamino]-N-(2-methoxyphenyl)acetamide.
What is the SMILES notation for 2-[[2-[(1-cyanocyclohexyl)-methylamino]-2-oxoethyl]-propylamino]-N-(2-methoxyphenyl)acetamide?
The canonical SMILES for 2-[[2-[(1-cyanocyclohexyl)-methylamino]-2-oxoethyl]-propylamino]-N-(2-methoxyphenyl)acetamide is CCCN(CC(=O)Nc1ccccc1OC)CC(=O)N(C)C1(C#N)CCCCC1.
What is the InChIKey of 2-[[2-[(1-cyanocyclohexyl)-methylamino]-2-oxoethyl]-propylamino]-N-(2-methoxyphenyl)acetamide?
The InChIKey is FVAZODYYTUJYDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N4O3/c1-4-14-26(15-20(27)24-18-10-6-7-11-19(18)29-3)16-21(28)25(2)22(17-23)12-8-5-9-13-22/h6-7,10-11H,4-5,8-9,12-16H2,1-3H3,(H,24,27).
What are the key properties of 2-[[2-[(1-cyanocyclohexyl)-methylamino]-2-oxoethyl]-propylamino]-N-(2-methoxyphenyl)acetamide?
2-[[2-[(1-cyanocyclohexyl)-methylamino]-2-oxoethyl]-propylamino]-N-(2-methoxyphenyl)acetamide has a molecular weight of 400.52 g/mol, XLogP of 3.03, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[(1-cyanocyclohexyl)-methylamino]-2-oxoethyl]-propylamino]-N-(2-methoxyphenyl)acetamide is sourced from PubChem (CID 40761196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).