N-cyclohexyl-2,5-dimethyl-1-phenylpyrrole-3-carboxamide

C19H24N2O — CID 134150139

IUPACN-cyclohexyl-2,5-dimethyl-1-phenylpyrrole-3-carboxamide
SMILESCc1cc(C(=O)NC2CCCCC2)c(C)n1-c1ccccc1
InChIInChI=1S/C19H24N2O/c1-14-13-18(19(22)20-16-9-5-3-6-10-16)15(2)21(14)17-11-7-4-8-12-17/h4,7-8,11-13,16H,3,5-6,9-10H2,1-2H3,(H,20,22)
InChIKeyAQHMAKURGRYIMV-UHFFFAOYSA-N
MW296.41 g/mol
LogP4.16
Rot. Bonds3

About N-cyclohexyl-2,5-dimethyl-1-phenylpyrrole-3-carboxamide

N-cyclohexyl-2,5-dimethyl-1-phenylpyrrole-3-carboxamide (PubChem CID 134150139) has the molecular formula C19H24N2O and a molecular weight of 296.41 g/mol. Its IUPAC name is N-cyclohexyl-2,5-dimethyl-1-phenylpyrrole-3-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-2,5-dimethyl-1-phenylpyrrole-3-carboxamide
PubChem CID134150139
Molecular FormulaC19H24N2O
Molecular Weight296.41 g/mol
Exact Mass296.19
IUPAC NameN-cyclohexyl-2,5-dimethyl-1-phenylpyrrole-3-carboxamide
SMILESCc1cc(C(=O)NC2CCCCC2)c(C)n1-c1ccccc1
InChIInChI=1S/C19H24N2O/c1-14-13-18(19(22)20-16-9-5-3-6-10-16)15(2)21(14)17-11-7-4-8-12-17/h4,7-8,11-13,16H,3,5-6,9-10H2,1-2H3,(H,20,22)
InChIKeyAQHMAKURGRYIMV-UHFFFAOYSA-N
XLogP4.16
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.41
LogP ≤ 54.16
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-2,5-dimethyl-1-phenylpyrrole-3-carboxamide?
The IUPAC name of N-cyclohexyl-2,5-dimethyl-1-phenylpyrrole-3-carboxamide (CID 134150139) is N-cyclohexyl-2,5-dimethyl-1-phenylpyrrole-3-carboxamide.
What is the SMILES notation for N-cyclohexyl-2,5-dimethyl-1-phenylpyrrole-3-carboxamide?
The canonical SMILES for N-cyclohexyl-2,5-dimethyl-1-phenylpyrrole-3-carboxamide is Cc1cc(C(=O)NC2CCCCC2)c(C)n1-c1ccccc1.
What is the InChIKey of N-cyclohexyl-2,5-dimethyl-1-phenylpyrrole-3-carboxamide?
The InChIKey is AQHMAKURGRYIMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O/c1-14-13-18(19(22)20-16-9-5-3-6-10-16)15(2)21(14)17-11-7-4-8-12-17/h4,7-8,11-13,16H,3,5-6,9-10H2,1-2H3,(H,20,22).
What are the key properties of N-cyclohexyl-2,5-dimethyl-1-phenylpyrrole-3-carboxamide?
N-cyclohexyl-2,5-dimethyl-1-phenylpyrrole-3-carboxamide has a molecular weight of 296.41 g/mol, XLogP of 4.16, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2,5-dimethyl-1-phenylpyrrole-3-carboxamide is sourced from PubChem (CID 134150139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).