ethyl 4-[2-[cyclobutanecarbonyl(cyclohexyl)amino]propanoyl]-1,3,5-trimethylpyrrole-2-carboxylate

C24H36N2O4 — CID 42824015

IUPACethyl 4-[2-[cyclobutanecarbonyl(cyclohexyl)amino]propanoyl]-1,3,5-trimethylpyrrole-2-carboxylate
SMILESCCOC(=O)c1c(C)c(C(=O)C(C)N(C(=O)C2CCC2)C2CCCCC2)c(C)n1C
InChIInChI=1S/C24H36N2O4/c1-6-30-24(29)21-15(2)20(16(3)25(21)5)22(27)17(4)26(19-13-8-7-9-14-19)23(28)18-11-10-12-18/h17-19H,6-14H2,1-5H3
InChIKeyNKFWOCMFTSIGIS-UHFFFAOYSA-N
MW416.56 g/mol
LogP4.35
Rot. Bonds7

About ethyl 4-[2-[cyclobutanecarbonyl(cyclohexyl)amino]propanoyl]-1,3,5-trimethylpyrrole-2-carboxylate

ethyl 4-[2-[cyclobutanecarbonyl(cyclohexyl)amino]propanoyl]-1,3,5-trimethylpyrrole-2-carboxylate (PubChem CID 42824015) has the molecular formula C24H36N2O4 and a molecular weight of 416.56 g/mol. Its IUPAC name is ethyl 4-[2-[cyclobutanecarbonyl(cyclohexyl)amino]propanoyl]-1,3,5-trimethylpyrrole-2-carboxylate.

Molecular Properties

Compound Nameethyl 4-[2-[cyclobutanecarbonyl(cyclohexyl)amino]propanoyl]-1,3,5-trimethylpyrrole-2-carboxylate
PubChem CID42824015
Molecular FormulaC24H36N2O4
Molecular Weight416.56 g/mol
Exact Mass416.27
IUPAC Nameethyl 4-[2-[cyclobutanecarbonyl(cyclohexyl)amino]propanoyl]-1,3,5-trimethylpyrrole-2-carboxylate
SMILESCCOC(=O)c1c(C)c(C(=O)C(C)N(C(=O)C2CCC2)C2CCCCC2)c(C)n1C
InChIInChI=1S/C24H36N2O4/c1-6-30-24(29)21-15(2)20(16(3)25(21)5)22(27)17(4)26(19-13-8-7-9-14-19)23(28)18-11-10-12-18/h17-19H,6-14H2,1-5H3
InChIKeyNKFWOCMFTSIGIS-UHFFFAOYSA-N
XLogP4.35
TPSA68.61 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.56
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 4-[2-[cyclobutanecarbonyl(methyl)amino]propanoyl]-1,3,5-trimethylpyrrole-2-carboxylate
CID 42679975
ethyl 4-[2-[cyclobutanecarbonyl(propyl)amino]propanoyl]-1,3,5-trimethylpyrrole-2-carboxylate
CID 42676003
ethyl 4-[2-[cyclohexyl-(4-methoxybenzoyl)amino]propanoyl]-1,3,5-trimethylpyrrole-2-carboxylate
CID 42679958
methyl 4-[(2S)-2-[cyclopropanecarbonyl(cyclopropyl)amino]propanoyl]-1,3,5-trimethylpyrrole-2-carboxylate
CID 93144416
ethyl 4-[2-[cyclobutanecarbonyl(cyclohexyl)amino]acetyl]-1,3,5-trimethylpyrrole-2-carboxylate
CID 42672737
methyl 4-[(2S)-2-[cyclopentanecarbonyl(ethyl)amino]propanoyl]-1,3,5-trimethylpyrrole-2-carboxylate
CID 93144382
methyl 4-[2-[benzoyl(cyclohexyl)amino]propanoyl]-1,3,5-trimethylpyrrole-2-carboxylate
CID 42679333
ethyl 4-[2-[cyclopentanecarbonyl(propyl)amino]acetyl]-1,3,5-trimethylpyrrole-2-carboxylate
CID 42670598
methyl 4-[2-[cyclohexylmethyl(cyclopropanecarbonyl)amino]propanoyl]-1,3,5-trimethylpyrrole-2-carboxylate
CID 42677648
ethyl 4-[2-[cyclopropyl(3-methylbutanoyl)amino]propanoyl]-1-ethyl-3,5-dimethylpyrrole-2-carboxylate
CID 42674897
ethyl 4-[2-[(4-fluorobenzoyl)-methylamino]propanoyl]-1,3,5-trimethylpyrrole-2-carboxylate
CID 42679971
methyl 4-[(2R)-2-[cyclobutanecarbonyl(cyclohexyl)amino]propanoyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate
CID 93141973

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[2-[cyclobutanecarbonyl(cyclohexyl)amino]propanoyl]-1,3,5-trimethylpyrrole-2-carboxylate?
The IUPAC name of ethyl 4-[2-[cyclobutanecarbonyl(cyclohexyl)amino]propanoyl]-1,3,5-trimethylpyrrole-2-carboxylate (CID 42824015) is ethyl 4-[2-[cyclobutanecarbonyl(cyclohexyl)amino]propanoyl]-1,3,5-trimethylpyrrole-2-carboxylate.
What is the SMILES notation for ethyl 4-[2-[cyclobutanecarbonyl(cyclohexyl)amino]propanoyl]-1,3,5-trimethylpyrrole-2-carboxylate?
The canonical SMILES for ethyl 4-[2-[cyclobutanecarbonyl(cyclohexyl)amino]propanoyl]-1,3,5-trimethylpyrrole-2-carboxylate is CCOC(=O)c1c(C)c(C(=O)C(C)N(C(=O)C2CCC2)C2CCCCC2)c(C)n1C.
What is the InChIKey of ethyl 4-[2-[cyclobutanecarbonyl(cyclohexyl)amino]propanoyl]-1,3,5-trimethylpyrrole-2-carboxylate?
The InChIKey is NKFWOCMFTSIGIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H36N2O4/c1-6-30-24(29)21-15(2)20(16(3)25(21)5)22(27)17(4)26(19-13-8-7-9-14-19)23(28)18-11-10-12-18/h17-19H,6-14H2,1-5H3.
What are the key properties of ethyl 4-[2-[cyclobutanecarbonyl(cyclohexyl)amino]propanoyl]-1,3,5-trimethylpyrrole-2-carboxylate?
ethyl 4-[2-[cyclobutanecarbonyl(cyclohexyl)amino]propanoyl]-1,3,5-trimethylpyrrole-2-carboxylate has a molecular weight of 416.56 g/mol, XLogP of 4.35, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[2-[cyclobutanecarbonyl(cyclohexyl)amino]propanoyl]-1,3,5-trimethylpyrrole-2-carboxylate is sourced from PubChem (CID 42824015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).