5-(2,4-dimethoxyphenyl)-2-methyl-1-(2-morpholin-4-ylethyl)pyrrole-3-carboxamide

C20H27N3O4 — CID 3727459

IUPAC5-(2,4-dimethoxyphenyl)-2-methyl-1-(2-morpholin-4-ylethyl)pyrrole-3-carboxamide
SMILESCOc1ccc(-c2cc(C(N)=O)c(C)n2CCN2CCOCC2)c(OC)c1
InChIInChI=1S/C20H27N3O4/c1-14-17(20(21)24)13-18(16-5-4-15(25-2)12-19(16)26-3)23(14)7-6-22-8-10-27-11-9-22/h4-5,12-13H,6-11H2,1-3H3,(H2,21,24)
InChIKeyNSZJRUDJLYSTMR-UHFFFAOYSA-N
MW373.45 g/mol
LogP1.91
Rot. Bonds7

About 5-(2,4-dimethoxyphenyl)-2-methyl-1-(2-morpholin-4-ylethyl)pyrrole-3-carboxamide

5-(2,4-dimethoxyphenyl)-2-methyl-1-(2-morpholin-4-ylethyl)pyrrole-3-carboxamide (PubChem CID 3727459) has the molecular formula C20H27N3O4 and a molecular weight of 373.45 g/mol. Its IUPAC name is 5-(2,4-dimethoxyphenyl)-2-methyl-1-(2-morpholin-4-ylethyl)pyrrole-3-carboxamide.

Molecular Properties

Compound Name5-(2,4-dimethoxyphenyl)-2-methyl-1-(2-morpholin-4-ylethyl)pyrrole-3-carboxamide
PubChem CID3727459
Molecular FormulaC20H27N3O4
Molecular Weight373.45 g/mol
Exact Mass373.20
IUPAC Name5-(2,4-dimethoxyphenyl)-2-methyl-1-(2-morpholin-4-ylethyl)pyrrole-3-carboxamide
SMILESCOc1ccc(-c2cc(C(N)=O)c(C)n2CCN2CCOCC2)c(OC)c1
InChIInChI=1S/C20H27N3O4/c1-14-17(20(21)24)13-18(16-5-4-15(25-2)12-19(16)26-3)23(14)7-6-22-8-10-27-11-9-22/h4-5,12-13H,6-11H2,1-3H3,(H2,21,24)
InChIKeyNSZJRUDJLYSTMR-UHFFFAOYSA-N
XLogP1.91
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.45
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[2-(2,4-dimethoxyphenyl)-4,5-dihydroxy-1-(2-morpholin-4-ylethyl)pyrrol-3-yl]-(4-methylphenyl)methanone
CID 123397590
5-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methyl-1-(2-morpholin-4-ylethyl)pyrrole-3-carboxamide
CID 3853401
1-(2,4-dimethoxyphenyl)-2-morpholin-4-ylethanone
CID 82050526
5-(2-methoxyphenyl)-2-methyl-1-[(3,4,5-trimethoxyphenyl)methyl]pyrrole-3-carboxamide
CID 3821121
N-(2,4-dimethoxyphenyl)-3-morpholin-4-ylpropanamide
CID 772656
2,5-dimethoxy-N-(2-morpholin-4-ylethyl)benzamide
CID 51072890
2,4-dimethoxy-N-(2-morpholin-4-ylethyl)-N-(oxan-4-yl)benzamide
CID 90607312
5-(3-cyanophenyl)-2-methyl-1-(3-morpholin-4-ylpropyl)pyrrole-3-carboxamide
CID 5221186
1-[(2,5-dimethoxyphenyl)methyl]-3,3-dimethyl-1-(2-morpholin-4-ylethyl)urea
CID 3837441
4-[2-[4-(2,4-dimethoxyphenyl)sulfonylpiperazin-1-yl]ethyl]morpholine
CID 113073742
1-[(4-methoxyphenyl)methyl]-2-methyl-5-(4-methylphenyl)pyrrole-3-carboxamide
CID 3863509
5-(3,4-difluorophenyl)-1-[2-(2,5-dimethoxyphenyl)ethyl]-2-methylpyrrole-3-carboxamide
CID 3757128

Frequently Asked Questions

What is the IUPAC name of 5-(2,4-dimethoxyphenyl)-2-methyl-1-(2-morpholin-4-ylethyl)pyrrole-3-carboxamide?
The IUPAC name of 5-(2,4-dimethoxyphenyl)-2-methyl-1-(2-morpholin-4-ylethyl)pyrrole-3-carboxamide (CID 3727459) is 5-(2,4-dimethoxyphenyl)-2-methyl-1-(2-morpholin-4-ylethyl)pyrrole-3-carboxamide.
What is the SMILES notation for 5-(2,4-dimethoxyphenyl)-2-methyl-1-(2-morpholin-4-ylethyl)pyrrole-3-carboxamide?
The canonical SMILES for 5-(2,4-dimethoxyphenyl)-2-methyl-1-(2-morpholin-4-ylethyl)pyrrole-3-carboxamide is COc1ccc(-c2cc(C(N)=O)c(C)n2CCN2CCOCC2)c(OC)c1.
What is the InChIKey of 5-(2,4-dimethoxyphenyl)-2-methyl-1-(2-morpholin-4-ylethyl)pyrrole-3-carboxamide?
The InChIKey is NSZJRUDJLYSTMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O4/c1-14-17(20(21)24)13-18(16-5-4-15(25-2)12-19(16)26-3)23(14)7-6-22-8-10-27-11-9-22/h4-5,12-13H,6-11H2,1-3H3,(H2,21,24).
What are the key properties of 5-(2,4-dimethoxyphenyl)-2-methyl-1-(2-morpholin-4-ylethyl)pyrrole-3-carboxamide?
5-(2,4-dimethoxyphenyl)-2-methyl-1-(2-morpholin-4-ylethyl)pyrrole-3-carboxamide has a molecular weight of 373.45 g/mol, XLogP of 1.91, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,4-dimethoxyphenyl)-2-methyl-1-(2-morpholin-4-ylethyl)pyrrole-3-carboxamide is sourced from PubChem (CID 3727459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).