N-cyclohexyl-2-ethyl-5-methyl-1-phenylpyrrole-3-carboxamide

C20H26N2O — CID 134135962

IUPACN-cyclohexyl-2-ethyl-5-methyl-1-phenylpyrrole-3-carboxamide
SMILESCCc1c(C(=O)NC2CCCCC2)cc(C)n1-c1ccccc1
InChIInChI=1S/C20H26N2O/c1-3-19-18(20(23)21-16-10-6-4-7-11-16)14-15(2)22(19)17-12-8-5-9-13-17/h5,8-9,12-14,16H,3-4,6-7,10-11H2,1-2H3,(H,21,23)
InChIKeyOFMWSFTXWIJSCU-UHFFFAOYSA-N
MW310.44 g/mol
LogP4.41
Rot. Bonds4

About N-cyclohexyl-2-ethyl-5-methyl-1-phenylpyrrole-3-carboxamide

N-cyclohexyl-2-ethyl-5-methyl-1-phenylpyrrole-3-carboxamide (PubChem CID 134135962) has the molecular formula C20H26N2O and a molecular weight of 310.44 g/mol. Its IUPAC name is N-cyclohexyl-2-ethyl-5-methyl-1-phenylpyrrole-3-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-2-ethyl-5-methyl-1-phenylpyrrole-3-carboxamide
PubChem CID134135962
Molecular FormulaC20H26N2O
Molecular Weight310.44 g/mol
Exact Mass310.20
IUPAC NameN-cyclohexyl-2-ethyl-5-methyl-1-phenylpyrrole-3-carboxamide
SMILESCCc1c(C(=O)NC2CCCCC2)cc(C)n1-c1ccccc1
InChIInChI=1S/C20H26N2O/c1-3-19-18(20(23)21-16-10-6-4-7-11-16)14-15(2)22(19)17-12-8-5-9-13-17/h5,8-9,12-14,16H,3-4,6-7,10-11H2,1-2H3,(H,21,23)
InChIKeyOFMWSFTXWIJSCU-UHFFFAOYSA-N
XLogP4.41
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.44
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'pyrrole_A(118)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-ethyl-5-methyl-1-phenylpyrrole-3-carboxamide?
The IUPAC name of N-cyclohexyl-2-ethyl-5-methyl-1-phenylpyrrole-3-carboxamide (CID 134135962) is N-cyclohexyl-2-ethyl-5-methyl-1-phenylpyrrole-3-carboxamide.
What is the SMILES notation for N-cyclohexyl-2-ethyl-5-methyl-1-phenylpyrrole-3-carboxamide?
The canonical SMILES for N-cyclohexyl-2-ethyl-5-methyl-1-phenylpyrrole-3-carboxamide is CCc1c(C(=O)NC2CCCCC2)cc(C)n1-c1ccccc1.
What is the InChIKey of N-cyclohexyl-2-ethyl-5-methyl-1-phenylpyrrole-3-carboxamide?
The InChIKey is OFMWSFTXWIJSCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O/c1-3-19-18(20(23)21-16-10-6-4-7-11-16)14-15(2)22(19)17-12-8-5-9-13-17/h5,8-9,12-14,16H,3-4,6-7,10-11H2,1-2H3,(H,21,23).
What are the key properties of N-cyclohexyl-2-ethyl-5-methyl-1-phenylpyrrole-3-carboxamide?
N-cyclohexyl-2-ethyl-5-methyl-1-phenylpyrrole-3-carboxamide has a molecular weight of 310.44 g/mol, XLogP of 4.41, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-ethyl-5-methyl-1-phenylpyrrole-3-carboxamide is sourced from PubChem (CID 134135962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).