ethyl 4-(cyclohexylcarbamoyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate

C16H24N2O3 — CID 5309771

IUPACethyl 4-(cyclohexylcarbamoyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate
SMILESCCOC(=O)c1[nH]c(C)c(C(=O)NC2CCCCC2)c1C
InChIInChI=1S/C16H24N2O3/c1-4-21-16(20)14-10(2)13(11(3)17-14)15(19)18-12-8-6-5-7-9-12/h12,17H,4-9H2,1-3H3,(H,18,19)
InChIKeyWSQFFFRHQGWTSB-UHFFFAOYSA-N
MW292.38 g/mol
LogP2.87
Rot. Bonds4

About ethyl 4-(cyclohexylcarbamoyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate

ethyl 4-(cyclohexylcarbamoyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate (PubChem CID 5309771) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is ethyl 4-(cyclohexylcarbamoyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate.

Molecular Properties

Compound Nameethyl 4-(cyclohexylcarbamoyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate
PubChem CID5309771
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC Nameethyl 4-(cyclohexylcarbamoyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate
SMILESCCOC(=O)c1[nH]c(C)c(C(=O)NC2CCCCC2)c1C
InChIInChI=1S/C16H24N2O3/c1-4-21-16(20)14-10(2)13(11(3)17-14)15(19)18-12-8-6-5-7-9-12/h12,17H,4-9H2,1-3H3,(H,18,19)
InChIKeyWSQFFFRHQGWTSB-UHFFFAOYSA-N
XLogP2.87
TPSA71.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-(cyclohexylcarbamoyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate?
The IUPAC name of ethyl 4-(cyclohexylcarbamoyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate (CID 5309771) is ethyl 4-(cyclohexylcarbamoyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate.
What is the SMILES notation for ethyl 4-(cyclohexylcarbamoyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate?
The canonical SMILES for ethyl 4-(cyclohexylcarbamoyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate is CCOC(=O)c1[nH]c(C)c(C(=O)NC2CCCCC2)c1C.
What is the InChIKey of ethyl 4-(cyclohexylcarbamoyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate?
The InChIKey is WSQFFFRHQGWTSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3/c1-4-21-16(20)14-10(2)13(11(3)17-14)15(19)18-12-8-6-5-7-9-12/h12,17H,4-9H2,1-3H3,(H,18,19).
What are the key properties of ethyl 4-(cyclohexylcarbamoyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate?
ethyl 4-(cyclohexylcarbamoyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate has a molecular weight of 292.38 g/mol, XLogP of 2.87, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(cyclohexylcarbamoyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate is sourced from PubChem (CID 5309771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).