N-cyclopentyl-2-[[2-(2-methylanilino)-2-oxoethyl]-propylamino]propanamide

C20H31N3O2 — CID 78789589

IUPACN-cyclopentyl-2-[[2-(2-methylanilino)-2-oxoethyl]-propylamino]propanamide
SMILESCCCN(CC(=O)Nc1ccccc1C)C(C)C(=O)NC1CCCC1
InChIInChI=1S/C20H31N3O2/c1-4-13-23(16(3)20(25)21-17-10-6-7-11-17)14-19(24)22-18-12-8-5-9-15(18)2/h5,8-9,12,16-17H,4,6-7,10-11,13-14H2,1-3H3,(H,21,25)(H,22,24)
InChIKeyGTSVASSKHRHWMT-UHFFFAOYSA-N
MW345.49 g/mol
LogP3.09
Rot. Bonds8

About N-cyclopentyl-2-[[2-(2-methylanilino)-2-oxoethyl]-propylamino]propanamide

N-cyclopentyl-2-[[2-(2-methylanilino)-2-oxoethyl]-propylamino]propanamide (PubChem CID 78789589) has the molecular formula C20H31N3O2 and a molecular weight of 345.49 g/mol. Its IUPAC name is N-cyclopentyl-2-[[2-(2-methylanilino)-2-oxoethyl]-propylamino]propanamide.

Molecular Properties

Compound NameN-cyclopentyl-2-[[2-(2-methylanilino)-2-oxoethyl]-propylamino]propanamide
PubChem CID78789589
Molecular FormulaC20H31N3O2
Molecular Weight345.49 g/mol
Exact Mass345.24
IUPAC NameN-cyclopentyl-2-[[2-(2-methylanilino)-2-oxoethyl]-propylamino]propanamide
SMILESCCCN(CC(=O)Nc1ccccc1C)C(C)C(=O)NC1CCCC1
InChIInChI=1S/C20H31N3O2/c1-4-13-23(16(3)20(25)21-17-10-6-7-11-17)14-19(24)22-18-12-8-5-9-15(18)2/h5,8-9,12,16-17H,4,6-7,10-11,13-14H2,1-3H3,(H,21,25)(H,22,24)
InChIKeyGTSVASSKHRHWMT-UHFFFAOYSA-N
XLogP3.09
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.49
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[2-(2-methylanilino)-2-oxoethyl]-propylamino]-N-pyrimidin-2-ylpropanamide
CID 78834668
2-[[2-(2-methylanilino)-2-oxoethyl]-propylamino]-N-[(2-methylphenyl)methyl]propanamide
CID 78840464
2-[[2-(cyclopentylcarbamoylamino)-2-oxoethyl]-propylamino]-N-(2-methylphenyl)acetamide
CID 27221599
N-(4-acetylphenyl)-2-[[2-(2-methylanilino)-2-oxoethyl]-propylamino]propanamide
CID 78787959
N-(5-chloro-2-pyridinyl)-2-[[2-(2-methylanilino)-2-oxoethyl]-propylamino]propanamide
CID 78817210
N-cyclohexyl-N'-(2-methylphenyl)propanediamide
CID 108942579
methyl 2-[[1-(cyclohexylamino)-1-oxopropan-2-yl]-propylamino]acetate
CID 62011561
2-[[2-(4-acetamidoanilino)-2-oxoethyl]-ethylamino]-N-cyclopentylpropanamide
CID 51171045
N-(1-ethylpiperidin-4-yl)-2-[[2-(2-methylanilino)-2-oxoethyl]-propylamino]acetamide
CID 78816923
2-[cycloheptyl(methyl)amino]-N-(2-methylphenyl)acetamide
CID 16577693
2-[[2-(4-acetamidoanilino)-2-oxoethyl]-ethylamino]-N-cyclohexylpropanamide
CID 51171048
2-methyl-N-[2-(2-methylanilino)-2-oxoethyl]-N-propylcyclopropane-1-carboxamide
CID 42990004

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-2-[[2-(2-methylanilino)-2-oxoethyl]-propylamino]propanamide?
The IUPAC name of N-cyclopentyl-2-[[2-(2-methylanilino)-2-oxoethyl]-propylamino]propanamide (CID 78789589) is N-cyclopentyl-2-[[2-(2-methylanilino)-2-oxoethyl]-propylamino]propanamide.
What is the SMILES notation for N-cyclopentyl-2-[[2-(2-methylanilino)-2-oxoethyl]-propylamino]propanamide?
The canonical SMILES for N-cyclopentyl-2-[[2-(2-methylanilino)-2-oxoethyl]-propylamino]propanamide is CCCN(CC(=O)Nc1ccccc1C)C(C)C(=O)NC1CCCC1.
What is the InChIKey of N-cyclopentyl-2-[[2-(2-methylanilino)-2-oxoethyl]-propylamino]propanamide?
The InChIKey is GTSVASSKHRHWMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N3O2/c1-4-13-23(16(3)20(25)21-17-10-6-7-11-17)14-19(24)22-18-12-8-5-9-15(18)2/h5,8-9,12,16-17H,4,6-7,10-11,13-14H2,1-3H3,(H,21,25)(H,22,24).
What are the key properties of N-cyclopentyl-2-[[2-(2-methylanilino)-2-oxoethyl]-propylamino]propanamide?
N-cyclopentyl-2-[[2-(2-methylanilino)-2-oxoethyl]-propylamino]propanamide has a molecular weight of 345.49 g/mol, XLogP of 3.09, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-2-[[2-(2-methylanilino)-2-oxoethyl]-propylamino]propanamide is sourced from PubChem (CID 78789589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).