2,5-dimethyl-N-[4-(2-morpholin-4-ylethyl)phenyl]-1-phenylpyrrole-3-carboxamide

C25H29N3O2 — CID 55979378

IUPAC2,5-dimethyl-N-[4-(2-morpholin-4-ylethyl)phenyl]-1-phenylpyrrole-3-carboxamide
SMILESCc1cc(C(=O)Nc2ccc(CCN3CCOCC3)cc2)c(C)n1-c1ccccc1
InChIInChI=1S/C25H29N3O2/c1-19-18-24(20(2)28(19)23-6-4-3-5-7-23)25(29)26-22-10-8-21(9-11-22)12-13-27-14-16-30-17-15-27/h3-11,18H,12-17H2,1-2H3,(H,26,29)
InChIKeyXPJPWCYGHNMDCC-UHFFFAOYSA-N
MW403.53 g/mol
LogP4.22
Rot. Bonds6

About 2,5-dimethyl-N-[4-(2-morpholin-4-ylethyl)phenyl]-1-phenylpyrrole-3-carboxamide

2,5-dimethyl-N-[4-(2-morpholin-4-ylethyl)phenyl]-1-phenylpyrrole-3-carboxamide (PubChem CID 55979378) has the molecular formula C25H29N3O2 and a molecular weight of 403.53 g/mol. Its IUPAC name is 2,5-dimethyl-N-[4-(2-morpholin-4-ylethyl)phenyl]-1-phenylpyrrole-3-carboxamide.

Molecular Properties

Compound Name2,5-dimethyl-N-[4-(2-morpholin-4-ylethyl)phenyl]-1-phenylpyrrole-3-carboxamide
PubChem CID55979378
Molecular FormulaC25H29N3O2
Molecular Weight403.53 g/mol
Exact Mass403.23
IUPAC Name2,5-dimethyl-N-[4-(2-morpholin-4-ylethyl)phenyl]-1-phenylpyrrole-3-carboxamide
SMILESCc1cc(C(=O)Nc2ccc(CCN3CCOCC3)cc2)c(C)n1-c1ccccc1
InChIInChI=1S/C25H29N3O2/c1-19-18-24(20(2)28(19)23-6-4-3-5-7-23)25(29)26-22-10-8-21(9-11-22)12-13-27-14-16-30-17-15-27/h3-11,18H,12-17H2,1-2H3,(H,26,29)
InChIKeyXPJPWCYGHNMDCC-UHFFFAOYSA-N
XLogP4.22
TPSA46.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.53
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2,5-dimethyl-N-(2-morpholin-4-ylethyl)-1-phenylpyrrole-3-carboxamide
CID 55348355
3-methyl-N-[4-(2-morpholin-4-ylethyl)phenyl]-2-nitrobenzamide
CID 55905910
N-[4-(2,6-dioxopiperidin-1-yl)phenyl]-2,5-dimethyl-1-phenylpyrrole-3-carboxamide
CID 60553560
3-(benzenesulfonamido)-N-[4-(2-morpholin-4-ylethyl)phenyl]benzamide
CID 55976882
5-methyl-N-[4-(2-morpholin-4-ylethyl)phenyl]-1-(3-nitrophenyl)triazole-4-carboxamide
CID 55906179
2,6-dimethyl-3-[(Z)-2-methylbut-1-enyl]-N-[4-(2-morpholin-4-ylethyl)phenyl]pyridine-4-carboxamide;ethane;toluene
CID 143288378
2-benzyl-4-methyl-N-[4-(2-morpholin-4-ylethyl)phenyl]-1,3-thiazole-5-carboxamide
CID 55906052
N-[4-(2-morpholin-4-ylethyl)phenyl]-9-oxofluorene-2-carboxamide
CID 55905281
1-methyl-N-[4-(2-morpholin-4-ylethyl)phenyl]-3-(trifluoromethyl)pyrazole-4-carboxamide
CID 87042918
N-[4-(2-morpholin-4-ylethyl)phenyl]-1,3-dioxo-2-(2-phenylethyl)isoindole-5-carboxamide
CID 55905919
4-benzyl-N-[4-(2-morpholin-4-ylethyl)phenyl]piperazine-1-carboxamide
CID 60545892
1-[2,5-dimethyl-1-(4-methylphenyl)pyrrol-3-yl]-2-(2-morpholin-4-ylethylamino)ethanone
CID 110654965

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-N-[4-(2-morpholin-4-ylethyl)phenyl]-1-phenylpyrrole-3-carboxamide?
The IUPAC name of 2,5-dimethyl-N-[4-(2-morpholin-4-ylethyl)phenyl]-1-phenylpyrrole-3-carboxamide (CID 55979378) is 2,5-dimethyl-N-[4-(2-morpholin-4-ylethyl)phenyl]-1-phenylpyrrole-3-carboxamide.
What is the SMILES notation for 2,5-dimethyl-N-[4-(2-morpholin-4-ylethyl)phenyl]-1-phenylpyrrole-3-carboxamide?
The canonical SMILES for 2,5-dimethyl-N-[4-(2-morpholin-4-ylethyl)phenyl]-1-phenylpyrrole-3-carboxamide is Cc1cc(C(=O)Nc2ccc(CCN3CCOCC3)cc2)c(C)n1-c1ccccc1.
What is the InChIKey of 2,5-dimethyl-N-[4-(2-morpholin-4-ylethyl)phenyl]-1-phenylpyrrole-3-carboxamide?
The InChIKey is XPJPWCYGHNMDCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N3O2/c1-19-18-24(20(2)28(19)23-6-4-3-5-7-23)25(29)26-22-10-8-21(9-11-22)12-13-27-14-16-30-17-15-27/h3-11,18H,12-17H2,1-2H3,(H,26,29).
What are the key properties of 2,5-dimethyl-N-[4-(2-morpholin-4-ylethyl)phenyl]-1-phenylpyrrole-3-carboxamide?
2,5-dimethyl-N-[4-(2-morpholin-4-ylethyl)phenyl]-1-phenylpyrrole-3-carboxamide has a molecular weight of 403.53 g/mol, XLogP of 4.22, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-N-[4-(2-morpholin-4-ylethyl)phenyl]-1-phenylpyrrole-3-carboxamide is sourced from PubChem (CID 55979378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).