methyl 3-[(2,6-dimethoxybenzoyl)amino]-4-(4-ethylpiperazin-1-yl)benzoate

C23H29N3O5 — CID 7329217

IUPACmethyl 3-[(2,6-dimethoxybenzoyl)amino]-4-(4-ethylpiperazin-1-yl)benzoate
SMILESCCN1CCN(c2ccc(C(=O)OC)cc2NC(=O)c2c(OC)cccc2OC)CC1
InChIInChI=1S/C23H29N3O5/c1-5-25-11-13-26(14-12-25)18-10-9-16(23(28)31-4)15-17(18)24-22(27)21-19(29-2)7-6-8-20(21)30-3/h6-10,15H,5,11-14H2,1-4H3,(H,24,27)
InChIKeyVYDSTEOVIIBXIB-UHFFFAOYSA-N
MW427.50 g/mol
LogP2.88
Rot. Bonds7

About methyl 3-[(2,6-dimethoxybenzoyl)amino]-4-(4-ethylpiperazin-1-yl)benzoate

methyl 3-[(2,6-dimethoxybenzoyl)amino]-4-(4-ethylpiperazin-1-yl)benzoate (PubChem CID 7329217) has the molecular formula C23H29N3O5 and a molecular weight of 427.50 g/mol. Its IUPAC name is methyl 3-[(2,6-dimethoxybenzoyl)amino]-4-(4-ethylpiperazin-1-yl)benzoate.

Molecular Properties

Compound Namemethyl 3-[(2,6-dimethoxybenzoyl)amino]-4-(4-ethylpiperazin-1-yl)benzoate
PubChem CID7329217
Molecular FormulaC23H29N3O5
Molecular Weight427.50 g/mol
Exact Mass427.21
IUPAC Namemethyl 3-[(2,6-dimethoxybenzoyl)amino]-4-(4-ethylpiperazin-1-yl)benzoate
SMILESCCN1CCN(c2ccc(C(=O)OC)cc2NC(=O)c2c(OC)cccc2OC)CC1
InChIInChI=1S/C23H29N3O5/c1-5-25-11-13-26(14-12-25)18-10-9-16(23(28)31-4)15-17(18)24-22(27)21-19(29-2)7-6-8-20(21)30-3/h6-10,15H,5,11-14H2,1-4H3,(H,24,27)
InChIKeyVYDSTEOVIIBXIB-UHFFFAOYSA-N
XLogP2.88
TPSA80.34 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.50
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze methyl 3-[(2,6-dimethoxybenzoyl)amino]-4-(4-ethylpiperazin-1-yl)benzoate with MolForge

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Related Compounds

methyl 4-(4-benzoylpiperazin-1-yl)-3-[(2,6-dimethoxybenzoyl)amino]benzoate
CID 17334081
methyl 3-[[5-chloro-2-(4-ethylpiperazin-1-yl)phenyl]carbamoyl]benzoate
CID 52636806
methyl 4-(4-ethylpiperazin-1-yl)-3-[(4-nitrobenzoyl)amino]benzoate
CID 7328854
methyl 3-[(2,6-dimethoxybenzoyl)carbamothioylamino]-4-(4-methylpiperazin-1-yl)benzoate
CID 17313751
methyl 3-(1-benzofuran-2-carbonylamino)-4-(4-ethylpiperazin-1-yl)benzoate
CID 7328887
methyl 3-[(2-methoxybenzoyl)amino]-4-(4-methylpiperazin-1-yl)benzoate
CID 4896727
methyl 3-[[2-(4-ethylphenoxy)acetyl]amino]-4-(4-ethylpiperazin-1-yl)benzoate
CID 4975408
N-(5-fluoro-2-morpholin-4-ylphenyl)-2,6-dimethoxybenzamide
CID 113092695
ethyl 4-(4-ethylpiperazin-1-yl)-3-[(2-methyl-3-nitrobenzoyl)amino]benzoate
CID 17334046
methyl 3-benzamido-4-(4-methylpiperazin-1-yl)benzoate
CID 6457150
methyl 3-[(3,4-dimethoxybenzoyl)amino]-4-(4-ethylpiperazin-4-ium-1-yl)benzoate
CID 7346082
methyl 3-[(2,6-difluorobenzoyl)amino]-4-(4-methylpiperidin-1-yl)benzoate
CID 5303629

Frequently Asked Questions

What is the IUPAC name of methyl 3-[(2,6-dimethoxybenzoyl)amino]-4-(4-ethylpiperazin-1-yl)benzoate?
The IUPAC name of methyl 3-[(2,6-dimethoxybenzoyl)amino]-4-(4-ethylpiperazin-1-yl)benzoate (CID 7329217) is methyl 3-[(2,6-dimethoxybenzoyl)amino]-4-(4-ethylpiperazin-1-yl)benzoate.
What is the SMILES notation for methyl 3-[(2,6-dimethoxybenzoyl)amino]-4-(4-ethylpiperazin-1-yl)benzoate?
The canonical SMILES for methyl 3-[(2,6-dimethoxybenzoyl)amino]-4-(4-ethylpiperazin-1-yl)benzoate is CCN1CCN(c2ccc(C(=O)OC)cc2NC(=O)c2c(OC)cccc2OC)CC1.
What is the InChIKey of methyl 3-[(2,6-dimethoxybenzoyl)amino]-4-(4-ethylpiperazin-1-yl)benzoate?
The InChIKey is VYDSTEOVIIBXIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O5/c1-5-25-11-13-26(14-12-25)18-10-9-16(23(28)31-4)15-17(18)24-22(27)21-19(29-2)7-6-8-20(21)30-3/h6-10,15H,5,11-14H2,1-4H3,(H,24,27).
What are the key properties of methyl 3-[(2,6-dimethoxybenzoyl)amino]-4-(4-ethylpiperazin-1-yl)benzoate?
methyl 3-[(2,6-dimethoxybenzoyl)amino]-4-(4-ethylpiperazin-1-yl)benzoate has a molecular weight of 427.50 g/mol, XLogP of 2.88, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(2,6-dimethoxybenzoyl)amino]-4-(4-ethylpiperazin-1-yl)benzoate is sourced from PubChem (CID 7329217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).