N-(2-ethylphenyl)-2-[4-[2-[methyl-[2-oxo-2-(propylamino)ethyl]amino]-2-oxoethyl]piperazin-1-yl]acetamide

C22H35N5O3 — CID 8773380

IUPACN-(2-ethylphenyl)-2-[4-[2-[methyl-[2-oxo-2-(propylamino)ethyl]amino]-2-oxoethyl]piperazin-1-yl]acetamide
SMILESCCCNC(=O)CN(C)C(=O)CN1CCN(CC(=O)Nc2ccccc2CC)CC1
InChIInChI=1S/C22H35N5O3/c1-4-10-23-20(28)15-25(3)22(30)17-27-13-11-26(12-14-27)16-21(29)24-19-9-7-6-8-18(19)5-2/h6-9H,4-5,10-17H2,1-3H3,(H,23,28)(H,24,29)
InChIKeyOBRBLBDJUSJQNS-UHFFFAOYSA-N
MW417.55 g/mol
LogP0.79
Rot. Bonds10

About N-(2-ethylphenyl)-2-[4-[2-[methyl-[2-oxo-2-(propylamino)ethyl]amino]-2-oxoethyl]piperazin-1-yl]acetamide

N-(2-ethylphenyl)-2-[4-[2-[methyl-[2-oxo-2-(propylamino)ethyl]amino]-2-oxoethyl]piperazin-1-yl]acetamide (PubChem CID 8773380) has the molecular formula C22H35N5O3 and a molecular weight of 417.55 g/mol. Its IUPAC name is N-(2-ethylphenyl)-2-[4-[2-[methyl-[2-oxo-2-(propylamino)ethyl]amino]-2-oxoethyl]piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(2-ethylphenyl)-2-[4-[2-[methyl-[2-oxo-2-(propylamino)ethyl]amino]-2-oxoethyl]piperazin-1-yl]acetamide
PubChem CID8773380
Molecular FormulaC22H35N5O3
Molecular Weight417.55 g/mol
Exact Mass417.27
IUPAC NameN-(2-ethylphenyl)-2-[4-[2-[methyl-[2-oxo-2-(propylamino)ethyl]amino]-2-oxoethyl]piperazin-1-yl]acetamide
SMILESCCCNC(=O)CN(C)C(=O)CN1CCN(CC(=O)Nc2ccccc2CC)CC1
InChIInChI=1S/C22H35N5O3/c1-4-10-23-20(28)15-25(3)22(30)17-27-13-11-26(12-14-27)16-21(29)24-19-9-7-6-8-18(19)5-2/h6-9H,4-5,10-17H2,1-3H3,(H,23,28)(H,24,29)
InChIKeyOBRBLBDJUSJQNS-UHFFFAOYSA-N
XLogP0.79
TPSA84.99 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.55
LogP ≤ 50.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-(2-ethylphenyl)-2-[4-[2-[methyl-[2-oxo-2-(propylamino)ethyl]amino]-2-oxoethyl]piperazin-1-yl]acetamide with MolForge

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Related Compounds

N-[2-(2-ethylanilino)-2-oxoethyl]-N-methyl-2-piperidin-1-ylacetamide
CID 8894535
2-[4-[2-(diethylamino)-2-oxoethyl]piperazin-1-yl]-N-(2-ethylphenyl)acetamide
CID 30969143
2-[4-[2-(2-ethylanilino)-2-oxoethyl]piperazin-1-yl]-N-(2-phenylethyl)acetamide
CID 9436562
2-[4-[2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl]piperazin-1-yl]-N-(2-ethylphenyl)acetamide
CID 8773212
N-methyl-N-[2-oxo-2-(propylamino)ethyl]-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]acetamide
CID 8621596
2-[4-[2-(2-ethylanilino)-2-oxoethyl]piperazin-1-yl]-N-(2-methylphenyl)acetamide
CID 9436502
2-[4-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]piperazin-1-yl]-N-propylacetamide
CID 30963694
N-(2-ethylphenyl)-2-[4-[2-[[2-(3-methoxypropylamino)-2-oxoethyl]-methylamino]acetyl]piperazin-1-yl]acetamide
CID 55445521
N-methyl-2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]-N-[2-oxo-2-(propylamino)ethyl]acetamide
CID 8597726
N'-(2-ethylphenyl)-N-propylpropanediamide
CID 108940680
N-(2-ethylphenyl)-2-[4-[2-(2-methoxyanilino)-2-oxoethyl]piperazin-1-yl]acetamide
CID 9436558
N-methyl-N-[2-oxo-2-(propylamino)ethyl]-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)acetamide
CID 8754167

Frequently Asked Questions

What is the IUPAC name of N-(2-ethylphenyl)-2-[4-[2-[methyl-[2-oxo-2-(propylamino)ethyl]amino]-2-oxoethyl]piperazin-1-yl]acetamide?
The IUPAC name of N-(2-ethylphenyl)-2-[4-[2-[methyl-[2-oxo-2-(propylamino)ethyl]amino]-2-oxoethyl]piperazin-1-yl]acetamide (CID 8773380) is N-(2-ethylphenyl)-2-[4-[2-[methyl-[2-oxo-2-(propylamino)ethyl]amino]-2-oxoethyl]piperazin-1-yl]acetamide.
What is the SMILES notation for N-(2-ethylphenyl)-2-[4-[2-[methyl-[2-oxo-2-(propylamino)ethyl]amino]-2-oxoethyl]piperazin-1-yl]acetamide?
The canonical SMILES for N-(2-ethylphenyl)-2-[4-[2-[methyl-[2-oxo-2-(propylamino)ethyl]amino]-2-oxoethyl]piperazin-1-yl]acetamide is CCCNC(=O)CN(C)C(=O)CN1CCN(CC(=O)Nc2ccccc2CC)CC1.
What is the InChIKey of N-(2-ethylphenyl)-2-[4-[2-[methyl-[2-oxo-2-(propylamino)ethyl]amino]-2-oxoethyl]piperazin-1-yl]acetamide?
The InChIKey is OBRBLBDJUSJQNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H35N5O3/c1-4-10-23-20(28)15-25(3)22(30)17-27-13-11-26(12-14-27)16-21(29)24-19-9-7-6-8-18(19)5-2/h6-9H,4-5,10-17H2,1-3H3,(H,23,28)(H,24,29).
What are the key properties of N-(2-ethylphenyl)-2-[4-[2-[methyl-[2-oxo-2-(propylamino)ethyl]amino]-2-oxoethyl]piperazin-1-yl]acetamide?
N-(2-ethylphenyl)-2-[4-[2-[methyl-[2-oxo-2-(propylamino)ethyl]amino]-2-oxoethyl]piperazin-1-yl]acetamide has a molecular weight of 417.55 g/mol, XLogP of 0.79, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylphenyl)-2-[4-[2-[methyl-[2-oxo-2-(propylamino)ethyl]amino]-2-oxoethyl]piperazin-1-yl]acetamide is sourced from PubChem (CID 8773380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).