5-(2-methoxyphenyl)-2-methyl-1-(5-methylhexan-2-yl)pyrrole-3-carboxamide

C20H28N2O2 — CID 3823576

IUPAC5-(2-methoxyphenyl)-2-methyl-1-(5-methylhexan-2-yl)pyrrole-3-carboxamide
SMILESCOc1ccccc1-c1cc(C(N)=O)c(C)n1C(C)CCC(C)C
InChIInChI=1S/C20H28N2O2/c1-13(2)10-11-14(3)22-15(4)17(20(21)23)12-18(22)16-8-6-7-9-19(16)24-5/h6-9,12-14H,10-11H2,1-5H3,(H2,21,23)
InChIKeySZZSAKTUDJGXLF-UHFFFAOYSA-N
MW328.46 g/mol
LogP4.57
Rot. Bonds7

About 5-(2-methoxyphenyl)-2-methyl-1-(5-methylhexan-2-yl)pyrrole-3-carboxamide

5-(2-methoxyphenyl)-2-methyl-1-(5-methylhexan-2-yl)pyrrole-3-carboxamide (PubChem CID 3823576) has the molecular formula C20H28N2O2 and a molecular weight of 328.46 g/mol. Its IUPAC name is 5-(2-methoxyphenyl)-2-methyl-1-(5-methylhexan-2-yl)pyrrole-3-carboxamide.

Molecular Properties

Compound Name5-(2-methoxyphenyl)-2-methyl-1-(5-methylhexan-2-yl)pyrrole-3-carboxamide
PubChem CID3823576
Molecular FormulaC20H28N2O2
Molecular Weight328.46 g/mol
Exact Mass328.22
IUPAC Name5-(2-methoxyphenyl)-2-methyl-1-(5-methylhexan-2-yl)pyrrole-3-carboxamide
SMILESCOc1ccccc1-c1cc(C(N)=O)c(C)n1C(C)CCC(C)C
InChIInChI=1S/C20H28N2O2/c1-13(2)10-11-14(3)22-15(4)17(20(21)23)12-18(22)16-8-6-7-9-19(16)24-5/h6-9,12-14H,10-11H2,1-5H3,(H2,21,23)
InChIKeySZZSAKTUDJGXLF-UHFFFAOYSA-N
XLogP4.57
TPSA57.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.46
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-(2-methoxyphenyl)-1,2-dimethylpyrrole-3-carboxamide
CID 116828514
5-(2-methoxyphenyl)-2-methyl-1-[(3,4,5-trimethoxyphenyl)methyl]pyrrole-3-carboxamide
CID 3821121
5-(3,4-difluorophenyl)-2-methyl-1-(5-methylhexan-2-yl)pyrrole-3-carboxamide
CID 4993053
2-methyl-5-phenyl-1-propan-2-ylpyrrole-3-carboxamide
CID 3723866
5-(3-cyanophenyl)-2-methyl-1-(4-phenylbutan-2-yl)pyrrole-3-carboxamide
CID 3807484
5-(3,4-difluorophenyl)-2-methyl-1-(4-phenylbutan-2-yl)pyrrole-3-carboxamide
CID 5016993
2-methyl-5-phenyl-1-[(3,4,5-trimethoxyphenyl)methyl]pyrrole-3-carboxamide
CID 3351332
5-(3-bromophenyl)-1-(1-methoxypropan-2-yl)-2-methylpyrrole-3-carboxamide
CID 3830834
5-(2,5-dimethoxyphenyl)-2-methyl-1-(4-phenylbutyl)pyrrole-3-carboxamide
CID 3825507
2-(2-methoxy-5-methylphenyl)benzamide
CID 66715055
2,5-dimethyl-1-(5-methylhexan-2-yl)pyrrole-3-carboxylic acid
CID 63925287
5-(2,5-dimethoxyphenyl)-1-[2-(4-methoxyphenyl)ethyl]-2-methylpyrrole-3-carboxamide
CID 3825510

Frequently Asked Questions

What is the IUPAC name of 5-(2-methoxyphenyl)-2-methyl-1-(5-methylhexan-2-yl)pyrrole-3-carboxamide?
The IUPAC name of 5-(2-methoxyphenyl)-2-methyl-1-(5-methylhexan-2-yl)pyrrole-3-carboxamide (CID 3823576) is 5-(2-methoxyphenyl)-2-methyl-1-(5-methylhexan-2-yl)pyrrole-3-carboxamide.
What is the SMILES notation for 5-(2-methoxyphenyl)-2-methyl-1-(5-methylhexan-2-yl)pyrrole-3-carboxamide?
The canonical SMILES for 5-(2-methoxyphenyl)-2-methyl-1-(5-methylhexan-2-yl)pyrrole-3-carboxamide is COc1ccccc1-c1cc(C(N)=O)c(C)n1C(C)CCC(C)C.
What is the InChIKey of 5-(2-methoxyphenyl)-2-methyl-1-(5-methylhexan-2-yl)pyrrole-3-carboxamide?
The InChIKey is SZZSAKTUDJGXLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2O2/c1-13(2)10-11-14(3)22-15(4)17(20(21)23)12-18(22)16-8-6-7-9-19(16)24-5/h6-9,12-14H,10-11H2,1-5H3,(H2,21,23).
What are the key properties of 5-(2-methoxyphenyl)-2-methyl-1-(5-methylhexan-2-yl)pyrrole-3-carboxamide?
5-(2-methoxyphenyl)-2-methyl-1-(5-methylhexan-2-yl)pyrrole-3-carboxamide has a molecular weight of 328.46 g/mol, XLogP of 4.57, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methoxyphenyl)-2-methyl-1-(5-methylhexan-2-yl)pyrrole-3-carboxamide is sourced from PubChem (CID 3823576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).