ethyl 4-(4-ethylpiperazin-1-yl)-3-[[2-(4-methylphenoxy)acetyl]amino]benzoate

C24H31N3O4 — CID 17047082

IUPACethyl 4-(4-ethylpiperazin-1-yl)-3-[[2-(4-methylphenoxy)acetyl]amino]benzoate
SMILESCCOC(=O)c1ccc(N2CCN(CC)CC2)c(NC(=O)COc2ccc(C)cc2)c1
InChIInChI=1S/C24H31N3O4/c1-4-26-12-14-27(15-13-26)22-11-8-19(24(29)30-5-2)16-21(22)25-23(28)17-31-20-9-6-18(3)7-10-20/h6-11,16H,4-5,12-15,17H2,1-3H3,(H,25,28)
InChIKeyOYOHQKYFBOJVIP-UHFFFAOYSA-N
MW425.53 g/mol
LogP3.33
Rot. Bonds8

About ethyl 4-(4-ethylpiperazin-1-yl)-3-[[2-(4-methylphenoxy)acetyl]amino]benzoate

ethyl 4-(4-ethylpiperazin-1-yl)-3-[[2-(4-methylphenoxy)acetyl]amino]benzoate (PubChem CID 17047082) has the molecular formula C24H31N3O4 and a molecular weight of 425.53 g/mol. Its IUPAC name is ethyl 4-(4-ethylpiperazin-1-yl)-3-[[2-(4-methylphenoxy)acetyl]amino]benzoate.

Molecular Properties

Compound Nameethyl 4-(4-ethylpiperazin-1-yl)-3-[[2-(4-methylphenoxy)acetyl]amino]benzoate
PubChem CID17047082
Molecular FormulaC24H31N3O4
Molecular Weight425.53 g/mol
Exact Mass425.23
IUPAC Nameethyl 4-(4-ethylpiperazin-1-yl)-3-[[2-(4-methylphenoxy)acetyl]amino]benzoate
SMILESCCOC(=O)c1ccc(N2CCN(CC)CC2)c(NC(=O)COc2ccc(C)cc2)c1
InChIInChI=1S/C24H31N3O4/c1-4-26-12-14-27(15-13-26)22-11-8-19(24(29)30-5-2)16-21(22)25-23(28)17-31-20-9-6-18(3)7-10-20/h6-11,16H,4-5,12-15,17H2,1-3H3,(H,25,28)
InChIKeyOYOHQKYFBOJVIP-UHFFFAOYSA-N
XLogP3.33
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.53
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

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Related Compounds

methyl 3-[[2-(4-ethylphenoxy)acetyl]amino]-4-(4-ethylpiperazin-1-yl)benzoate
CID 4975408
ethyl 4-(4-ethylpiperazin-1-yl)-3-[(4-propan-2-yloxybenzoyl)amino]benzoate
CID 17358144
N-[5-amino-2-(4-ethylpiperazin-1-yl)phenyl]-2-phenoxyacetamide
CID 91675894
N-[5-chloro-2-(4-ethylpiperazin-1-yl)phenyl]-2-(4-propoxyphenoxy)acetamide
CID 55359272
methyl 4-(4-acetylpiperazin-1-yl)-3-[[2-(4-ethylphenoxy)acetyl]amino]benzoate
CID 3163535
methyl 3-[[2-(4-methoxyphenoxy)acetyl]amino]-4-(4-methylpiperazin-4-ium-1-yl)benzoate
CID 7092448
ethyl 4-amino-3-(4-ethylpiperazin-1-yl)benzoate
CID 82785705
ethyl 4-[2-[2-[2-(4-methylphenoxy)acetyl]hydrazinyl]-2-oxoethoxy]benzoate
CID 4932618
ethyl 4-[2-(2-bromo-4-methylanilino)-2-oxoethoxy]benzoate
CID 34569554
2-(4-methylphenoxy)-N-[2-(4-methylpiperazin-1-yl)phenyl]acetamide
CID 3160208
2-(4-methylphenoxy)-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]acetamide
CID 2161692
ethyl 3-[(4-chloro-3-nitrobenzoyl)amino]-4-(4-ethylpiperazin-1-yl)benzoate
CID 17017756

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(4-ethylpiperazin-1-yl)-3-[[2-(4-methylphenoxy)acetyl]amino]benzoate?
The IUPAC name of ethyl 4-(4-ethylpiperazin-1-yl)-3-[[2-(4-methylphenoxy)acetyl]amino]benzoate (CID 17047082) is ethyl 4-(4-ethylpiperazin-1-yl)-3-[[2-(4-methylphenoxy)acetyl]amino]benzoate.
What is the SMILES notation for ethyl 4-(4-ethylpiperazin-1-yl)-3-[[2-(4-methylphenoxy)acetyl]amino]benzoate?
The canonical SMILES for ethyl 4-(4-ethylpiperazin-1-yl)-3-[[2-(4-methylphenoxy)acetyl]amino]benzoate is CCOC(=O)c1ccc(N2CCN(CC)CC2)c(NC(=O)COc2ccc(C)cc2)c1.
What is the InChIKey of ethyl 4-(4-ethylpiperazin-1-yl)-3-[[2-(4-methylphenoxy)acetyl]amino]benzoate?
The InChIKey is OYOHQKYFBOJVIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N3O4/c1-4-26-12-14-27(15-13-26)22-11-8-19(24(29)30-5-2)16-21(22)25-23(28)17-31-20-9-6-18(3)7-10-20/h6-11,16H,4-5,12-15,17H2,1-3H3,(H,25,28).
What are the key properties of ethyl 4-(4-ethylpiperazin-1-yl)-3-[[2-(4-methylphenoxy)acetyl]amino]benzoate?
ethyl 4-(4-ethylpiperazin-1-yl)-3-[[2-(4-methylphenoxy)acetyl]amino]benzoate has a molecular weight of 425.53 g/mol, XLogP of 3.33, 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-[[2-(4-methylphenoxy)acetyl]amino]benzoate is sourced from PubChem (CID 17047082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).