N-ethyl-3-[[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]amino]-4-methylbenzamide

C23H30N4O3 — CID 55897738

IUPACN-ethyl-3-[[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]amino]-4-methylbenzamide
SMILESCCNC(=O)c1ccc(C)c(NCC(=O)N2CCN(c3ccc(OC)cc3)CC2)c1
InChIInChI=1S/C23H30N4O3/c1-4-24-23(29)18-6-5-17(2)21(15-18)25-16-22(28)27-13-11-26(12-14-27)19-7-9-20(30-3)10-8-19/h5-10,15,25H,4,11-14,16H2,1-3H3,(H,24,29)
InChIKeyPXTIUPDTQFNKFV-UHFFFAOYSA-N
MW410.52 g/mol
LogP2.51
Rot. Bonds7

About N-ethyl-3-[[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]amino]-4-methylbenzamide

N-ethyl-3-[[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]amino]-4-methylbenzamide (PubChem CID 55897738) has the molecular formula C23H30N4O3 and a molecular weight of 410.52 g/mol. Its IUPAC name is N-ethyl-3-[[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]amino]-4-methylbenzamide.

Molecular Properties

Compound NameN-ethyl-3-[[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]amino]-4-methylbenzamide
PubChem CID55897738
Molecular FormulaC23H30N4O3
Molecular Weight410.52 g/mol
Exact Mass410.23
IUPAC NameN-ethyl-3-[[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]amino]-4-methylbenzamide
SMILESCCNC(=O)c1ccc(C)c(NCC(=O)N2CCN(c3ccc(OC)cc3)CC2)c1
InChIInChI=1S/C23H30N4O3/c1-4-24-23(29)18-6-5-17(2)21(15-18)25-16-22(28)27-13-11-26(12-14-27)19-7-9-20(30-3)10-8-19/h5-10,15,25H,4,11-14,16H2,1-3H3,(H,24,29)
InChIKeyPXTIUPDTQFNKFV-UHFFFAOYSA-N
XLogP2.51
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.52
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

Analyze N-ethyl-3-[[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]amino]-4-methylbenzamide 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-[3-[[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]amino]-4-methylphenyl]benzamide
CID 52703669
2-(4-fluoro-2-methylanilino)-1-[4-(4-methoxyphenyl)piperazin-1-yl]ethanone
CID 18096733
3-methoxy-N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]benzamide
CID 9158911
2-(2-fluoro-4-methylanilino)-1-[4-(4-methoxyphenyl)piperazin-1-yl]ethanone
CID 37479293
1-[4-(4-methoxyphenyl)piperazin-1-yl]-2-(propylamino)ethanone
CID 60648289
dimethyl 5-[[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]amino]benzene-1,3-dicarboxylate
CID 55437017
1-[4-(4-methoxyphenyl)piperazin-1-yl]-2-(methylamino)ethanone
CID 24702790
2-chloro-1-[4-(4-methoxyphenyl)piperazin-1-yl]ethanone;hydrochloride
CID 43810420
2-[[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]amino]-N-(2,2,2-trifluoroethyl)benzamide
CID 33167235
N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-2-(4-methylphenyl)acetamide
CID 112996020
N-[4-chloro-3-[[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]amino]phenyl]acetamide
CID 56514662
2-[[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]amino]-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 25356675

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-[[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]amino]-4-methylbenzamide?
The IUPAC name of N-ethyl-3-[[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]amino]-4-methylbenzamide (CID 55897738) is N-ethyl-3-[[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]amino]-4-methylbenzamide.
What is the SMILES notation for N-ethyl-3-[[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]amino]-4-methylbenzamide?
The canonical SMILES for N-ethyl-3-[[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]amino]-4-methylbenzamide is CCNC(=O)c1ccc(C)c(NCC(=O)N2CCN(c3ccc(OC)cc3)CC2)c1.
What is the InChIKey of N-ethyl-3-[[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]amino]-4-methylbenzamide?
The InChIKey is PXTIUPDTQFNKFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N4O3/c1-4-24-23(29)18-6-5-17(2)21(15-18)25-16-22(28)27-13-11-26(12-14-27)19-7-9-20(30-3)10-8-19/h5-10,15,25H,4,11-14,16H2,1-3H3,(H,24,29).
What are the key properties of N-ethyl-3-[[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]amino]-4-methylbenzamide?
N-ethyl-3-[[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]amino]-4-methylbenzamide has a molecular weight of 410.52 g/mol, XLogP of 2.51, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-[[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]amino]-4-methylbenzamide is sourced from PubChem (CID 55897738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).