methyl 4-[[2-(cyclohexylamino)acetyl]-[2-(cyclohexylamino)-2-oxoethyl]amino]benzoate

C24H35N3O4 — CID 3207178

IUPACmethyl 4-[[2-(cyclohexylamino)acetyl]-[2-(cyclohexylamino)-2-oxoethyl]amino]benzoate
SMILESCOC(=O)c1ccc(N(CC(=O)NC2CCCCC2)C(=O)CNC2CCCCC2)cc1
InChIInChI=1S/C24H35N3O4/c1-31-24(30)18-12-14-21(15-13-18)27(17-22(28)26-20-10-6-3-7-11-20)23(29)16-25-19-8-4-2-5-9-19/h12-15,19-20,25H,2-11,16-17H2,1H3,(H,26,28)
InChIKeyJDXSXYOHUFGSHN-UHFFFAOYSA-N
MW429.56 g/mol
LogP3.18
Rot. Bonds8

About methyl 4-[[2-(cyclohexylamino)acetyl]-[2-(cyclohexylamino)-2-oxoethyl]amino]benzoate

methyl 4-[[2-(cyclohexylamino)acetyl]-[2-(cyclohexylamino)-2-oxoethyl]amino]benzoate (PubChem CID 3207178) has the molecular formula C24H35N3O4 and a molecular weight of 429.56 g/mol. Its IUPAC name is methyl 4-[[2-(cyclohexylamino)acetyl]-[2-(cyclohexylamino)-2-oxoethyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 4-[[2-(cyclohexylamino)acetyl]-[2-(cyclohexylamino)-2-oxoethyl]amino]benzoate
PubChem CID3207178
Molecular FormulaC24H35N3O4
Molecular Weight429.56 g/mol
Exact Mass429.26
IUPAC Namemethyl 4-[[2-(cyclohexylamino)acetyl]-[2-(cyclohexylamino)-2-oxoethyl]amino]benzoate
SMILESCOC(=O)c1ccc(N(CC(=O)NC2CCCCC2)C(=O)CNC2CCCCC2)cc1
InChIInChI=1S/C24H35N3O4/c1-31-24(30)18-12-14-21(15-13-18)27(17-22(28)26-20-10-6-3-7-11-20)23(29)16-25-19-8-4-2-5-9-19/h12-15,19-20,25H,2-11,16-17H2,1H3,(H,26,28)
InChIKeyJDXSXYOHUFGSHN-UHFFFAOYSA-N
XLogP3.18
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.56
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze methyl 4-[[2-(cyclohexylamino)acetyl]-[2-(cyclohexylamino)-2-oxoethyl]amino]benzoate with MolForge

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Related Compounds

methyl 4-[[2-(cycloheptylamino)-2-oxoethyl]-methylsulfonylamino]benzoate
CID 113156039
methyl 3-[acetyl-[2-(cycloheptylamino)-2-oxoethyl]amino]benzoate
CID 113176252
methyl 4-[[3-(cycloheptylamino)-3-oxopropyl]amino]benzoate
CID 109031506
2-(N-acetyl-4-ethylanilino)-N-cycloheptylacetamide
CID 113169281
ethyl 4-[acetyl-[3-(cyclohexylamino)-3-oxopropyl]amino]benzoate
CID 113133307
methyl 4-[[3-(cyclohexylamino)-3-oxopropanoyl]amino]benzoate
CID 108942635
2-(N-acetylanilino)-N-cyclopentylacetamide
CID 113167073
methyl 3-[[2-(cyclohexylamino)-2-oxoethyl]-methylsulfonylamino]benzoate
CID 113155935
N-[2-(cyclopentylamino)-2-oxoethyl]-N-(4-methoxyphenyl)-2-[5-(4-methylphenyl)tetrazol-2-yl]acetamide
CID 656377
methyl 4-[cyclopentanecarbonyl(ethyl)amino]benzoate
CID 66998977
methyl 4-[[2-(cyclopentylamino)acetyl]amino]-3-methylbenzoate
CID 60849797
2-(N-acetyl-3,4-dimethylanilino)-N-cyclohexylacetamide
CID 113168245

Frequently Asked Questions

What is the IUPAC name of methyl 4-[[2-(cyclohexylamino)acetyl]-[2-(cyclohexylamino)-2-oxoethyl]amino]benzoate?
The IUPAC name of methyl 4-[[2-(cyclohexylamino)acetyl]-[2-(cyclohexylamino)-2-oxoethyl]amino]benzoate (CID 3207178) is methyl 4-[[2-(cyclohexylamino)acetyl]-[2-(cyclohexylamino)-2-oxoethyl]amino]benzoate.
What is the SMILES notation for methyl 4-[[2-(cyclohexylamino)acetyl]-[2-(cyclohexylamino)-2-oxoethyl]amino]benzoate?
The canonical SMILES for methyl 4-[[2-(cyclohexylamino)acetyl]-[2-(cyclohexylamino)-2-oxoethyl]amino]benzoate is COC(=O)c1ccc(N(CC(=O)NC2CCCCC2)C(=O)CNC2CCCCC2)cc1.
What is the InChIKey of methyl 4-[[2-(cyclohexylamino)acetyl]-[2-(cyclohexylamino)-2-oxoethyl]amino]benzoate?
The InChIKey is JDXSXYOHUFGSHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H35N3O4/c1-31-24(30)18-12-14-21(15-13-18)27(17-22(28)26-20-10-6-3-7-11-20)23(29)16-25-19-8-4-2-5-9-19/h12-15,19-20,25H,2-11,16-17H2,1H3,(H,26,28).
What are the key properties of methyl 4-[[2-(cyclohexylamino)acetyl]-[2-(cyclohexylamino)-2-oxoethyl]amino]benzoate?
methyl 4-[[2-(cyclohexylamino)acetyl]-[2-(cyclohexylamino)-2-oxoethyl]amino]benzoate has a molecular weight of 429.56 g/mol, XLogP of 3.18, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[[2-(cyclohexylamino)acetyl]-[2-(cyclohexylamino)-2-oxoethyl]amino]benzoate is sourced from PubChem (CID 3207178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).