methyl 4-[2-[cyclohexylmethyl(cyclopropanecarbonyl)amino]propanoyl]-1,3,5-trimethylpyrrole-2-carboxylate

C23H34N2O4 — CID 42677648

IUPACmethyl 4-[2-[cyclohexylmethyl(cyclopropanecarbonyl)amino]propanoyl]-1,3,5-trimethylpyrrole-2-carboxylate
SMILESCOC(=O)c1c(C)c(C(=O)C(C)N(CC2CCCCC2)C(=O)C2CC2)c(C)n1C
InChIInChI=1S/C23H34N2O4/c1-14-19(15(2)24(4)20(14)23(28)29-5)21(26)16(3)25(22(27)18-11-12-18)13-17-9-7-6-8-10-17/h16-18H,6-13H2,1-5H3
InChIKeyCDIMYYONTROQBR-UHFFFAOYSA-N
MW402.54 g/mol
LogP3.82
Rot. Bonds7

About methyl 4-[2-[cyclohexylmethyl(cyclopropanecarbonyl)amino]propanoyl]-1,3,5-trimethylpyrrole-2-carboxylate

methyl 4-[2-[cyclohexylmethyl(cyclopropanecarbonyl)amino]propanoyl]-1,3,5-trimethylpyrrole-2-carboxylate (PubChem CID 42677648) has the molecular formula C23H34N2O4 and a molecular weight of 402.54 g/mol. Its IUPAC name is methyl 4-[2-[cyclohexylmethyl(cyclopropanecarbonyl)amino]propanoyl]-1,3,5-trimethylpyrrole-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-[2-[cyclohexylmethyl(cyclopropanecarbonyl)amino]propanoyl]-1,3,5-trimethylpyrrole-2-carboxylate
PubChem CID42677648
Molecular FormulaC23H34N2O4
Molecular Weight402.54 g/mol
Exact Mass402.25
IUPAC Namemethyl 4-[2-[cyclohexylmethyl(cyclopropanecarbonyl)amino]propanoyl]-1,3,5-trimethylpyrrole-2-carboxylate
SMILESCOC(=O)c1c(C)c(C(=O)C(C)N(CC2CCCCC2)C(=O)C2CC2)c(C)n1C
InChIInChI=1S/C23H34N2O4/c1-14-19(15(2)24(4)20(14)23(28)29-5)21(26)16(3)25(22(27)18-11-12-18)13-17-9-7-6-8-10-17/h16-18H,6-13H2,1-5H3
InChIKeyCDIMYYONTROQBR-UHFFFAOYSA-N
XLogP3.82
TPSA68.61 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.54
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 4-[2-[cyclohexylmethyl(2-methylpropanoyl)amino]propanoyl]-1,3,5-trimethylpyrrole-2-carboxylate
CID 42677641
methyl 4-[(2S)-2-[cyclopentanecarbonyl(ethyl)amino]propanoyl]-1,3,5-trimethylpyrrole-2-carboxylate
CID 93144382
methyl 4-[(2S)-2-[(2-chlorobenzoyl)-(cyclohexylmethyl)amino]propanoyl]-1,3,5-trimethylpyrrole-2-carboxylate
CID 93144590
methyl 4-[2-[(2-chlorobenzoyl)-(cyclohexylmethyl)amino]propanoyl]-1,3,5-trimethylpyrrole-2-carboxylate
CID 42677644
methyl 4-[(2S)-2-[cyclopropanecarbonyl(cyclopropyl)amino]propanoyl]-1,3,5-trimethylpyrrole-2-carboxylate
CID 93144416
methyl 4-[2-[cyclopropanecarbonyl(oxolan-2-ylmethyl)amino]propanoyl]-1-ethyl-3,5-dimethylpyrrole-2-carboxylate
CID 42679469
ethyl 4-[2-[cyclobutanecarbonyl(propyl)amino]propanoyl]-1,3,5-trimethylpyrrole-2-carboxylate
CID 42676003
ethyl 4-[2-[cyclobutanecarbonyl(cyclohexyl)amino]propanoyl]-1,3,5-trimethylpyrrole-2-carboxylate
CID 42824015
methyl 4-[(2S)-2-[acetyl(propyl)amino]propanoyl]-1,3,5-trimethylpyrrole-2-carboxylate
CID 93144441
methyl 1,3,5-trimethyl-4-[2-[2-methylpropanoyl(2-methylpropyl)amino]propanoyl]pyrrole-2-carboxylate
CID 42677395
methyl 1,3,5-trimethyl-4-[(2R)-2-[3-methylbutyl(propanoyl)amino]propanoyl]pyrrole-2-carboxylate
CID 93144557
methyl 4-[2-[benzoyl(cyclohexyl)amino]propanoyl]-1,3,5-trimethylpyrrole-2-carboxylate
CID 42679333

Frequently Asked Questions

What is the IUPAC name of methyl 4-[2-[cyclohexylmethyl(cyclopropanecarbonyl)amino]propanoyl]-1,3,5-trimethylpyrrole-2-carboxylate?
The IUPAC name of methyl 4-[2-[cyclohexylmethyl(cyclopropanecarbonyl)amino]propanoyl]-1,3,5-trimethylpyrrole-2-carboxylate (CID 42677648) is methyl 4-[2-[cyclohexylmethyl(cyclopropanecarbonyl)amino]propanoyl]-1,3,5-trimethylpyrrole-2-carboxylate.
What is the SMILES notation for methyl 4-[2-[cyclohexylmethyl(cyclopropanecarbonyl)amino]propanoyl]-1,3,5-trimethylpyrrole-2-carboxylate?
The canonical SMILES for methyl 4-[2-[cyclohexylmethyl(cyclopropanecarbonyl)amino]propanoyl]-1,3,5-trimethylpyrrole-2-carboxylate is COC(=O)c1c(C)c(C(=O)C(C)N(CC2CCCCC2)C(=O)C2CC2)c(C)n1C.
What is the InChIKey of methyl 4-[2-[cyclohexylmethyl(cyclopropanecarbonyl)amino]propanoyl]-1,3,5-trimethylpyrrole-2-carboxylate?
The InChIKey is CDIMYYONTROQBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H34N2O4/c1-14-19(15(2)24(4)20(14)23(28)29-5)21(26)16(3)25(22(27)18-11-12-18)13-17-9-7-6-8-10-17/h16-18H,6-13H2,1-5H3.
What are the key properties of methyl 4-[2-[cyclohexylmethyl(cyclopropanecarbonyl)amino]propanoyl]-1,3,5-trimethylpyrrole-2-carboxylate?
methyl 4-[2-[cyclohexylmethyl(cyclopropanecarbonyl)amino]propanoyl]-1,3,5-trimethylpyrrole-2-carboxylate has a molecular weight of 402.54 g/mol, XLogP of 3.82, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[2-[cyclohexylmethyl(cyclopropanecarbonyl)amino]propanoyl]-1,3,5-trimethylpyrrole-2-carboxylate is sourced from PubChem (CID 42677648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).