N-cyclohexyl-1-(4-methoxyphenyl)-2,5-dimethylpyrrole-3-carboxamide

C20H26N2O2 — CID 1251635

IUPACN-cyclohexyl-1-(4-methoxyphenyl)-2,5-dimethylpyrrole-3-carboxamide
SMILESCOc1ccc(-n2c(C)cc(C(=O)NC3CCCCC3)c2C)cc1
InChIInChI=1S/C20H26N2O2/c1-14-13-19(20(23)21-16-7-5-4-6-8-16)15(2)22(14)17-9-11-18(24-3)12-10-17/h9-13,16H,4-8H2,1-3H3,(H,21,23)
InChIKeyJRUPSUHGNBVOBV-UHFFFAOYSA-N
MW326.44 g/mol
LogP4.17
Rot. Bonds4

About N-cyclohexyl-1-(4-methoxyphenyl)-2,5-dimethylpyrrole-3-carboxamide

N-cyclohexyl-1-(4-methoxyphenyl)-2,5-dimethylpyrrole-3-carboxamide (PubChem CID 1251635) has the molecular formula C20H26N2O2 and a molecular weight of 326.44 g/mol. Its IUPAC name is N-cyclohexyl-1-(4-methoxyphenyl)-2,5-dimethylpyrrole-3-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-1-(4-methoxyphenyl)-2,5-dimethylpyrrole-3-carboxamide
PubChem CID1251635
Molecular FormulaC20H26N2O2
Molecular Weight326.44 g/mol
Exact Mass326.20
IUPAC NameN-cyclohexyl-1-(4-methoxyphenyl)-2,5-dimethylpyrrole-3-carboxamide
SMILESCOc1ccc(-n2c(C)cc(C(=O)NC3CCCCC3)c2C)cc1
InChIInChI=1S/C20H26N2O2/c1-14-13-19(20(23)21-16-7-5-4-6-8-16)15(2)22(14)17-9-11-18(24-3)12-10-17/h9-13,16H,4-8H2,1-3H3,(H,21,23)
InChIKeyJRUPSUHGNBVOBV-UHFFFAOYSA-N
XLogP4.17
TPSA43.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-1-(4-methoxyphenyl)-2,5-dimethylpyrrole-3-carboxamide?
The IUPAC name of N-cyclohexyl-1-(4-methoxyphenyl)-2,5-dimethylpyrrole-3-carboxamide (CID 1251635) is N-cyclohexyl-1-(4-methoxyphenyl)-2,5-dimethylpyrrole-3-carboxamide.
What is the SMILES notation for N-cyclohexyl-1-(4-methoxyphenyl)-2,5-dimethylpyrrole-3-carboxamide?
The canonical SMILES for N-cyclohexyl-1-(4-methoxyphenyl)-2,5-dimethylpyrrole-3-carboxamide is COc1ccc(-n2c(C)cc(C(=O)NC3CCCCC3)c2C)cc1.
What is the InChIKey of N-cyclohexyl-1-(4-methoxyphenyl)-2,5-dimethylpyrrole-3-carboxamide?
The InChIKey is JRUPSUHGNBVOBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O2/c1-14-13-19(20(23)21-16-7-5-4-6-8-16)15(2)22(14)17-9-11-18(24-3)12-10-17/h9-13,16H,4-8H2,1-3H3,(H,21,23).
What are the key properties of N-cyclohexyl-1-(4-methoxyphenyl)-2,5-dimethylpyrrole-3-carboxamide?
N-cyclohexyl-1-(4-methoxyphenyl)-2,5-dimethylpyrrole-3-carboxamide has a molecular weight of 326.44 g/mol, XLogP of 4.17, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-1-(4-methoxyphenyl)-2,5-dimethylpyrrole-3-carboxamide is sourced from PubChem (CID 1251635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).