N-(1-ethylpiperidin-4-yl)-2-[[2-(2-methylanilino)-2-oxoethyl]-propylamino]acetamide

C21H34N4O2 — CID 78816923

IUPACN-(1-ethylpiperidin-4-yl)-2-[[2-(2-methylanilino)-2-oxoethyl]-propylamino]acetamide
SMILESCCCN(CC(=O)Nc1ccccc1C)CC(=O)NC1CCN(CC)CC1
InChIInChI=1S/C21H34N4O2/c1-4-12-25(16-21(27)23-19-9-7-6-8-17(19)3)15-20(26)22-18-10-13-24(5-2)14-11-18/h6-9,18H,4-5,10-16H2,1-3H3,(H,22,26)(H,23,27)
InChIKeyMNEWFEJXQHRMSM-UHFFFAOYSA-N
MW374.53 g/mol
LogP2.25
Rot. Bonds9

About N-(1-ethylpiperidin-4-yl)-2-[[2-(2-methylanilino)-2-oxoethyl]-propylamino]acetamide

N-(1-ethylpiperidin-4-yl)-2-[[2-(2-methylanilino)-2-oxoethyl]-propylamino]acetamide (PubChem CID 78816923) has the molecular formula C21H34N4O2 and a molecular weight of 374.53 g/mol. Its IUPAC name is N-(1-ethylpiperidin-4-yl)-2-[[2-(2-methylanilino)-2-oxoethyl]-propylamino]acetamide.

Molecular Properties

Compound NameN-(1-ethylpiperidin-4-yl)-2-[[2-(2-methylanilino)-2-oxoethyl]-propylamino]acetamide
PubChem CID78816923
Molecular FormulaC21H34N4O2
Molecular Weight374.53 g/mol
Exact Mass374.27
IUPAC NameN-(1-ethylpiperidin-4-yl)-2-[[2-(2-methylanilino)-2-oxoethyl]-propylamino]acetamide
SMILESCCCN(CC(=O)Nc1ccccc1C)CC(=O)NC1CCN(CC)CC1
InChIInChI=1S/C21H34N4O2/c1-4-12-25(16-21(27)23-19-9-7-6-8-17(19)3)15-20(26)22-18-10-13-24(5-2)14-11-18/h6-9,18H,4-5,10-16H2,1-3H3,(H,22,26)(H,23,27)
InChIKeyMNEWFEJXQHRMSM-UHFFFAOYSA-N
XLogP2.25
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.53
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[2-(cyclopentylcarbamoylamino)-2-oxoethyl]-propylamino]-N-(2-methylphenyl)acetamide
CID 27221599
2-[[2-(2-methylanilino)-2-oxoethyl]-propylamino]-N-phenylacetamide
CID 9038815
N-cyclooctyl-2-[[2-(2-methoxyanilino)-2-oxoethyl]-propylamino]acetamide
CID 27098874
2-[[2-(4-bromo-2-methylanilino)-2-oxoethyl]-methylamino]-N-(1-ethylpiperidin-4-yl)acetamide
CID 8790519
2-[[2-[methyl-(4-methylcyclohexyl)amino]-2-oxoethyl]-propylamino]-N-(2-methylphenyl)acetamide
CID 78816919
2-[[2-[2-[(2R)-butan-2-yl]anilino]-2-oxoethyl]-propylamino]-N-(2-methylphenyl)acetamide
CID 9038968
2-[[2-(2-methylanilino)-2-oxoethyl]-propylamino]-N-prop-2-ynylacetamide
CID 8810170
2-[[2-(2-methylanilino)-2-oxoethyl]-propylamino]-N-(4-morpholin-4-ylphenyl)acetamide
CID 8592918
N-(4-chlorophenyl)-2-[[2-(2-methylanilino)-2-oxoethyl]-propylamino]acetamide
CID 9038956
N-cyclopentyl-2-[[2-(2-methylanilino)-2-oxoethyl]-propylamino]propanamide
CID 78789589
2-[4-(methylamino)piperidin-1-yl]-N-(2-methylphenyl)acetamide
CID 60818956
2-(dibutylamino)-N-(2-methylphenyl)acetamide;hydrochloride
CID 3026049

Frequently Asked Questions

What is the IUPAC name of N-(1-ethylpiperidin-4-yl)-2-[[2-(2-methylanilino)-2-oxoethyl]-propylamino]acetamide?
The IUPAC name of N-(1-ethylpiperidin-4-yl)-2-[[2-(2-methylanilino)-2-oxoethyl]-propylamino]acetamide (CID 78816923) is N-(1-ethylpiperidin-4-yl)-2-[[2-(2-methylanilino)-2-oxoethyl]-propylamino]acetamide.
What is the SMILES notation for N-(1-ethylpiperidin-4-yl)-2-[[2-(2-methylanilino)-2-oxoethyl]-propylamino]acetamide?
The canonical SMILES for N-(1-ethylpiperidin-4-yl)-2-[[2-(2-methylanilino)-2-oxoethyl]-propylamino]acetamide is CCCN(CC(=O)Nc1ccccc1C)CC(=O)NC1CCN(CC)CC1.
What is the InChIKey of N-(1-ethylpiperidin-4-yl)-2-[[2-(2-methylanilino)-2-oxoethyl]-propylamino]acetamide?
The InChIKey is MNEWFEJXQHRMSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H34N4O2/c1-4-12-25(16-21(27)23-19-9-7-6-8-17(19)3)15-20(26)22-18-10-13-24(5-2)14-11-18/h6-9,18H,4-5,10-16H2,1-3H3,(H,22,26)(H,23,27).
What are the key properties of N-(1-ethylpiperidin-4-yl)-2-[[2-(2-methylanilino)-2-oxoethyl]-propylamino]acetamide?
N-(1-ethylpiperidin-4-yl)-2-[[2-(2-methylanilino)-2-oxoethyl]-propylamino]acetamide has a molecular weight of 374.53 g/mol, XLogP of 2.25, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-ethylpiperidin-4-yl)-2-[[2-(2-methylanilino)-2-oxoethyl]-propylamino]acetamide is sourced from PubChem (CID 78816923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).