[2-[4-(4-ethylpiperazin-1-yl)anilino]-2-oxoethyl] 2-[(3-methoxybenzoyl)amino]acetate

C24H30N4O5 — CID 16625061

IUPAC[2-[4-(4-ethylpiperazin-1-yl)anilino]-2-oxoethyl] 2-[(3-methoxybenzoyl)amino]acetate
SMILESCCN1CCN(c2ccc(NC(=O)COC(=O)CNC(=O)c3cccc(OC)c3)cc2)CC1
InChIInChI=1S/C24H30N4O5/c1-3-27-11-13-28(14-12-27)20-9-7-19(8-10-20)26-22(29)17-33-23(30)16-25-24(31)18-5-4-6-21(15-18)32-2/h4-10,15H,3,11-14,16-17H2,1-2H3,(H,25,31)(H,26,29)
InChIKeyVJZJTEPXJDBBQR-UHFFFAOYSA-N
MW454.53 g/mol
LogP1.75
Rot. Bonds9

About [2-[4-(4-ethylpiperazin-1-yl)anilino]-2-oxoethyl] 2-[(3-methoxybenzoyl)amino]acetate

[2-[4-(4-ethylpiperazin-1-yl)anilino]-2-oxoethyl] 2-[(3-methoxybenzoyl)amino]acetate (PubChem CID 16625061) has the molecular formula C24H30N4O5 and a molecular weight of 454.53 g/mol. Its IUPAC name is [2-[4-(4-ethylpiperazin-1-yl)anilino]-2-oxoethyl] 2-[(3-methoxybenzoyl)amino]acetate.

Molecular Properties

Compound Name[2-[4-(4-ethylpiperazin-1-yl)anilino]-2-oxoethyl] 2-[(3-methoxybenzoyl)amino]acetate
PubChem CID16625061
Molecular FormulaC24H30N4O5
Molecular Weight454.53 g/mol
Exact Mass454.22
IUPAC Name[2-[4-(4-ethylpiperazin-1-yl)anilino]-2-oxoethyl] 2-[(3-methoxybenzoyl)amino]acetate
SMILESCCN1CCN(c2ccc(NC(=O)COC(=O)CNC(=O)c3cccc(OC)c3)cc2)CC1
InChIInChI=1S/C24H30N4O5/c1-3-27-11-13-28(14-12-27)20-9-7-19(8-10-20)26-22(29)17-33-23(30)16-25-24(31)18-5-4-6-21(15-18)32-2/h4-10,15H,3,11-14,16-17H2,1-2H3,(H,25,31)(H,26,29)
InChIKeyVJZJTEPXJDBBQR-UHFFFAOYSA-N
XLogP1.75
TPSA100.21 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.53
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

[2-(3,4-dimethylanilino)-2-oxoethyl] 2-[(3-methoxybenzoyl)amino]acetate
CID 7882526
[2-[(4-methoxyphenyl)carbamoylamino]-2-oxoethyl] 2-[(3-methoxybenzoyl)amino]acetate
CID 31145131
[2-[(9-ethylcarbazol-3-yl)amino]-2-oxoethyl] 2-[(3-methoxybenzoyl)amino]acetate
CID 35651716
ethyl 4-[4-[(3-methoxybenzoyl)amino]phenyl]piperazine-1-carboxylate
CID 112984389
[2-oxo-2-(4-piperidin-1-ylanilino)ethyl] 2-benzamidoacetate
CID 7780766
3-butoxy-N-[4-(4-ethylpiperazin-1-yl)phenyl]benzamide
CID 2200234
[2-[4-(4-ethylpiperazin-1-yl)anilino]-2-oxoethyl] 3-methoxy-4-methylbenzoate
CID 16625588
[2-[(2,2-difluoro-1,3-benzodioxol-5-yl)amino]-2-oxoethyl] 2-[(3-methoxybenzoyl)amino]acetate
CID 46791546
3-methoxy-N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]benzamide
CID 9158911
[2-(2-carbamoylanilino)-2-oxoethyl] 2-[(3-methoxybenzoyl)amino]acetate
CID 7899308
[2-[4-(4-ethylpiperazin-1-yl)anilino]-2-oxoethyl] 2-(2-methylphenyl)acetate
CID 16625383
[2-[4-(4-ethylpiperazin-1-yl)anilino]-2-oxoethyl] 2-(4-propanoylphenoxy)acetate
CID 16624970

Frequently Asked Questions

What is the IUPAC name of [2-[4-(4-ethylpiperazin-1-yl)anilino]-2-oxoethyl] 2-[(3-methoxybenzoyl)amino]acetate?
The IUPAC name of [2-[4-(4-ethylpiperazin-1-yl)anilino]-2-oxoethyl] 2-[(3-methoxybenzoyl)amino]acetate (CID 16625061) is [2-[4-(4-ethylpiperazin-1-yl)anilino]-2-oxoethyl] 2-[(3-methoxybenzoyl)amino]acetate.
What is the SMILES notation for [2-[4-(4-ethylpiperazin-1-yl)anilino]-2-oxoethyl] 2-[(3-methoxybenzoyl)amino]acetate?
The canonical SMILES for [2-[4-(4-ethylpiperazin-1-yl)anilino]-2-oxoethyl] 2-[(3-methoxybenzoyl)amino]acetate is CCN1CCN(c2ccc(NC(=O)COC(=O)CNC(=O)c3cccc(OC)c3)cc2)CC1.
What is the InChIKey of [2-[4-(4-ethylpiperazin-1-yl)anilino]-2-oxoethyl] 2-[(3-methoxybenzoyl)amino]acetate?
The InChIKey is VJZJTEPXJDBBQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N4O5/c1-3-27-11-13-28(14-12-27)20-9-7-19(8-10-20)26-22(29)17-33-23(30)16-25-24(31)18-5-4-6-21(15-18)32-2/h4-10,15H,3,11-14,16-17H2,1-2H3,(H,25,31)(H,26,29).
What are the key properties of [2-[4-(4-ethylpiperazin-1-yl)anilino]-2-oxoethyl] 2-[(3-methoxybenzoyl)amino]acetate?
[2-[4-(4-ethylpiperazin-1-yl)anilino]-2-oxoethyl] 2-[(3-methoxybenzoyl)amino]acetate has a molecular weight of 454.53 g/mol, XLogP of 1.75, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[4-(4-ethylpiperazin-1-yl)anilino]-2-oxoethyl] 2-[(3-methoxybenzoyl)amino]acetate is sourced from PubChem (CID 16625061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).