ethyl 4-(4-ethylpiperazin-1-yl)-3-[(4-propan-2-yloxybenzoyl)amino]benzoate

C25H33N3O4 — CID 17358144

IUPACethyl 4-(4-ethylpiperazin-1-yl)-3-[(4-propan-2-yloxybenzoyl)amino]benzoate
SMILESCCOC(=O)c1ccc(N2CCN(CC)CC2)c(NC(=O)c2ccc(OC(C)C)cc2)c1
InChIInChI=1S/C25H33N3O4/c1-5-27-13-15-28(16-14-27)23-12-9-20(25(30)31-6-2)17-22(23)26-24(29)19-7-10-21(11-8-19)32-18(3)4/h7-12,17-18H,5-6,13-16H2,1-4H3,(H,26,29)
InChIKeyBNTZJJRWIOGCEM-UHFFFAOYSA-N
MW439.56 g/mol
LogP4.04
Rot. Bonds8

About ethyl 4-(4-ethylpiperazin-1-yl)-3-[(4-propan-2-yloxybenzoyl)amino]benzoate

ethyl 4-(4-ethylpiperazin-1-yl)-3-[(4-propan-2-yloxybenzoyl)amino]benzoate (PubChem CID 17358144) has the molecular formula C25H33N3O4 and a molecular weight of 439.56 g/mol. Its IUPAC name is ethyl 4-(4-ethylpiperazin-1-yl)-3-[(4-propan-2-yloxybenzoyl)amino]benzoate.

Molecular Properties

Compound Nameethyl 4-(4-ethylpiperazin-1-yl)-3-[(4-propan-2-yloxybenzoyl)amino]benzoate
PubChem CID17358144
Molecular FormulaC25H33N3O4
Molecular Weight439.56 g/mol
Exact Mass439.25
IUPAC Nameethyl 4-(4-ethylpiperazin-1-yl)-3-[(4-propan-2-yloxybenzoyl)amino]benzoate
SMILESCCOC(=O)c1ccc(N2CCN(CC)CC2)c(NC(=O)c2ccc(OC(C)C)cc2)c1
InChIInChI=1S/C25H33N3O4/c1-5-27-13-15-28(16-14-27)23-12-9-20(25(30)31-6-2)17-22(23)26-24(29)19-7-10-21(11-8-19)32-18(3)4/h7-12,17-18H,5-6,13-16H2,1-4H3,(H,26,29)
InChIKeyBNTZJJRWIOGCEM-UHFFFAOYSA-N
XLogP4.04
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.56
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze ethyl 4-(4-ethylpiperazin-1-yl)-3-[(4-propan-2-yloxybenzoyl)amino]benzoate with MolForge

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Related Compounds

ethyl 4-(4-benzylpiperazin-1-yl)-3-[(4-butan-2-yloxybenzoyl)amino]benzoate
CID 43913840
ethyl 4-morpholin-4-yl-3-[(3-propan-2-yloxybenzoyl)amino]benzoate
CID 16740402
ethyl 4-(4-ethylpiperazin-1-yl)-3-[[2-(4-methylphenoxy)acetyl]amino]benzoate
CID 17047082
ethyl 3-[(4-chloro-3-nitrobenzoyl)amino]-4-(4-ethylpiperazin-1-yl)benzoate
CID 17017756
methyl 4-(4-ethylpiperazin-1-yl)-3-[(4-nitrobenzoyl)amino]benzoate
CID 7328854
ethyl 4-(4-ethylpiperazin-1-yl)-3-[(2-methyl-3-nitrobenzoyl)amino]benzoate
CID 17334046
ethyl 3-[(3-butan-2-yloxybenzoyl)amino]-4-morpholin-4-ylbenzoate
CID 43913387
N-[5-chloro-2-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]-4-propan-2-yloxybenzamide
CID 17066104
ethyl 4-amino-3-(4-ethylpiperazin-1-yl)benzoate
CID 82785705
4-(difluoromethoxy)-N-[2-(4-ethylpiperazin-1-yl)-5-piperidin-1-ylsulfonylphenyl]benzamide
CID 24980976
methyl 3-[(2,6-dimethoxybenzoyl)amino]-4-(4-ethylpiperazin-1-yl)benzoate
CID 7329217
5-(4-ethylpiperazin-1-yl)-N-(4-propan-2-yloxyphenyl)pyridine-3-carboxamide
CID 109230669

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(4-ethylpiperazin-1-yl)-3-[(4-propan-2-yloxybenzoyl)amino]benzoate?
The IUPAC name of ethyl 4-(4-ethylpiperazin-1-yl)-3-[(4-propan-2-yloxybenzoyl)amino]benzoate (CID 17358144) is ethyl 4-(4-ethylpiperazin-1-yl)-3-[(4-propan-2-yloxybenzoyl)amino]benzoate.
What is the SMILES notation for ethyl 4-(4-ethylpiperazin-1-yl)-3-[(4-propan-2-yloxybenzoyl)amino]benzoate?
The canonical SMILES for ethyl 4-(4-ethylpiperazin-1-yl)-3-[(4-propan-2-yloxybenzoyl)amino]benzoate is CCOC(=O)c1ccc(N2CCN(CC)CC2)c(NC(=O)c2ccc(OC(C)C)cc2)c1.
What is the InChIKey of ethyl 4-(4-ethylpiperazin-1-yl)-3-[(4-propan-2-yloxybenzoyl)amino]benzoate?
The InChIKey is BNTZJJRWIOGCEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33N3O4/c1-5-27-13-15-28(16-14-27)23-12-9-20(25(30)31-6-2)17-22(23)26-24(29)19-7-10-21(11-8-19)32-18(3)4/h7-12,17-18H,5-6,13-16H2,1-4H3,(H,26,29).
What are the key properties of ethyl 4-(4-ethylpiperazin-1-yl)-3-[(4-propan-2-yloxybenzoyl)amino]benzoate?
ethyl 4-(4-ethylpiperazin-1-yl)-3-[(4-propan-2-yloxybenzoyl)amino]benzoate has a molecular weight of 439.56 g/mol, XLogP of 4.04, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(4-ethylpiperazin-1-yl)-3-[(4-propan-2-yloxybenzoyl)amino]benzoate is sourced from PubChem (CID 17358144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).