methyl 3-[[2-(4-ethylphenoxy)acetyl]amino]-4-(4-ethylpiperazin-1-yl)benzoate

C24H31N3O4 — CID 4975408

IUPACmethyl 3-[[2-(4-ethylphenoxy)acetyl]amino]-4-(4-ethylpiperazin-1-yl)benzoate
SMILESCCc1ccc(OCC(=O)Nc2cc(C(=O)OC)ccc2N2CCN(CC)CC2)cc1
InChIInChI=1S/C24H31N3O4/c1-4-18-6-9-20(10-7-18)31-17-23(28)25-21-16-19(24(29)30-3)8-11-22(21)27-14-12-26(5-2)13-15-27/h6-11,16H,4-5,12-15,17H2,1-3H3,(H,25,28)
InChIKeyODHVEWKPYSMQMJ-UHFFFAOYSA-N
MW425.53 g/mol
LogP3.19
Rot. Bonds8

About methyl 3-[[2-(4-ethylphenoxy)acetyl]amino]-4-(4-ethylpiperazin-1-yl)benzoate

methyl 3-[[2-(4-ethylphenoxy)acetyl]amino]-4-(4-ethylpiperazin-1-yl)benzoate (PubChem CID 4975408) has the molecular formula C24H31N3O4 and a molecular weight of 425.53 g/mol. Its IUPAC name is methyl 3-[[2-(4-ethylphenoxy)acetyl]amino]-4-(4-ethylpiperazin-1-yl)benzoate.

Molecular Properties

Compound Namemethyl 3-[[2-(4-ethylphenoxy)acetyl]amino]-4-(4-ethylpiperazin-1-yl)benzoate
PubChem CID4975408
Molecular FormulaC24H31N3O4
Molecular Weight425.53 g/mol
Exact Mass425.23
IUPAC Namemethyl 3-[[2-(4-ethylphenoxy)acetyl]amino]-4-(4-ethylpiperazin-1-yl)benzoate
SMILESCCc1ccc(OCC(=O)Nc2cc(C(=O)OC)ccc2N2CCN(CC)CC2)cc1
InChIInChI=1S/C24H31N3O4/c1-4-18-6-9-20(10-7-18)31-17-23(28)25-21-16-19(24(29)30-3)8-11-22(21)27-14-12-26(5-2)13-15-27/h6-11,16H,4-5,12-15,17H2,1-3H3,(H,25,28)
InChIKeyODHVEWKPYSMQMJ-UHFFFAOYSA-N
XLogP3.19
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 ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

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Related Compounds

methyl 4-(4-acetylpiperazin-1-yl)-3-[[2-(4-ethylphenoxy)acetyl]amino]benzoate
CID 3163535
ethyl 4-(4-ethylpiperazin-1-yl)-3-[[2-(4-methylphenoxy)acetyl]amino]benzoate
CID 17047082
methyl 3-[[2-(4-methoxyphenoxy)acetyl]amino]-4-(4-methylpiperazin-4-ium-1-yl)benzoate
CID 7092448
N-[5-chloro-2-(4-ethylpiperazin-1-yl)phenyl]-2-(4-propoxyphenoxy)acetamide
CID 55359272
N-[5-amino-2-(4-ethylpiperazin-1-yl)phenyl]-2-phenoxyacetamide
CID 91675894
methyl 3-[(2,6-dimethoxybenzoyl)amino]-4-(4-ethylpiperazin-1-yl)benzoate
CID 7329217
methyl 4-(4-ethylpiperazin-1-yl)-3-[(4-nitrobenzoyl)amino]benzoate
CID 7328854
2-(4-ethylphenoxy)-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]acetamide
CID 3921183
methyl 3-[[2-(2-oxochromen-7-yl)oxyacetyl]amino]-4-pyrrolidin-1-ylbenzoate
CID 46515110
N-[5-chloro-2-(4-ethylpiperazin-1-yl)phenyl]-2-(4-methoxyphenyl)acetamide
CID 7491964
methyl 3-(1-benzofuran-2-carbonylamino)-4-(4-ethylpiperazin-1-yl)benzoate
CID 7328887
N-[2-[4-(4-chlorobenzoyl)piperazin-1-yl]phenyl]-2-(4-ethylphenoxy)acetamide
CID 17117908

Frequently Asked Questions

What is the IUPAC name of methyl 3-[[2-(4-ethylphenoxy)acetyl]amino]-4-(4-ethylpiperazin-1-yl)benzoate?
The IUPAC name of methyl 3-[[2-(4-ethylphenoxy)acetyl]amino]-4-(4-ethylpiperazin-1-yl)benzoate (CID 4975408) is methyl 3-[[2-(4-ethylphenoxy)acetyl]amino]-4-(4-ethylpiperazin-1-yl)benzoate.
What is the SMILES notation for methyl 3-[[2-(4-ethylphenoxy)acetyl]amino]-4-(4-ethylpiperazin-1-yl)benzoate?
The canonical SMILES for methyl 3-[[2-(4-ethylphenoxy)acetyl]amino]-4-(4-ethylpiperazin-1-yl)benzoate is CCc1ccc(OCC(=O)Nc2cc(C(=O)OC)ccc2N2CCN(CC)CC2)cc1.
What is the InChIKey of methyl 3-[[2-(4-ethylphenoxy)acetyl]amino]-4-(4-ethylpiperazin-1-yl)benzoate?
The InChIKey is ODHVEWKPYSMQMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N3O4/c1-4-18-6-9-20(10-7-18)31-17-23(28)25-21-16-19(24(29)30-3)8-11-22(21)27-14-12-26(5-2)13-15-27/h6-11,16H,4-5,12-15,17H2,1-3H3,(H,25,28).
What are the key properties of methyl 3-[[2-(4-ethylphenoxy)acetyl]amino]-4-(4-ethylpiperazin-1-yl)benzoate?
methyl 3-[[2-(4-ethylphenoxy)acetyl]amino]-4-(4-ethylpiperazin-1-yl)benzoate has a molecular weight of 425.53 g/mol, XLogP of 3.19, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[[2-(4-ethylphenoxy)acetyl]amino]-4-(4-ethylpiperazin-1-yl)benzoate is sourced from PubChem (CID 4975408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).