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

C19H25N3O2 — CID 55348355

IUPAC2,5-dimethyl-N-(2-morpholin-4-ylethyl)-1-phenylpyrrole-3-carboxamide
SMILESCc1cc(C(=O)NCCN2CCOCC2)c(C)n1-c1ccccc1
InChIInChI=1S/C19H25N3O2/c1-15-14-18(16(2)22(15)17-6-4-3-5-7-17)19(23)20-8-9-21-10-12-24-13-11-21/h3-7,14H,8-13H2,1-2H3,(H,20,23)
InChIKeyDSYCQZSZJPPWSI-UHFFFAOYSA-N
MW327.43 g/mol
LogP2.16
Rot. Bonds5

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

2,5-dimethyl-N-(2-morpholin-4-ylethyl)-1-phenylpyrrole-3-carboxamide (PubChem CID 55348355) has the molecular formula C19H25N3O2 and a molecular weight of 327.43 g/mol. Its IUPAC name is 2,5-dimethyl-N-(2-morpholin-4-ylethyl)-1-phenylpyrrole-3-carboxamide.

Molecular Properties

Compound Name2,5-dimethyl-N-(2-morpholin-4-ylethyl)-1-phenylpyrrole-3-carboxamide
PubChem CID55348355
Molecular FormulaC19H25N3O2
Molecular Weight327.43 g/mol
Exact Mass327.19
IUPAC Name2,5-dimethyl-N-(2-morpholin-4-ylethyl)-1-phenylpyrrole-3-carboxamide
SMILESCc1cc(C(=O)NCCN2CCOCC2)c(C)n1-c1ccccc1
InChIInChI=1S/C19H25N3O2/c1-15-14-18(16(2)22(15)17-6-4-3-5-7-17)19(23)20-8-9-21-10-12-24-13-11-21/h3-7,14H,8-13H2,1-2H3,(H,20,23)
InChIKeyDSYCQZSZJPPWSI-UHFFFAOYSA-N
XLogP2.16
TPSA46.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 52.16
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

5-(4-chlorophenyl)-2-methyl-N-(2-morpholin-4-ylethyl)-1-phenylpyrrole-3-carboxamide
CID 7306840
5-(4-methoxyphenyl)-2-methyl-N-(2-morpholin-4-ylethyl)-1-phenylpyrrole-3-carboxamide
CID 42785508
5-(3-methoxyphenyl)-2-methyl-N-(2-morpholin-4-ylethyl)-1-phenylpyrrole-3-carboxamide
CID 7347913
2,5-dimethyl-N-[4-(2-morpholin-4-ylethyl)phenyl]-1-phenylpyrrole-3-carboxamide
CID 55979378
N-[2-[4-(2,3-dichlorophenyl)piperazin-1-yl]ethyl]-2,5-dimethyl-1-phenylpyrrole-3-carboxamide
CID 58358858
2,5-dimethyl-1-(3-methylphenyl)-N-(2-piperazin-1-ylethyl)pyrrole-3-carboxamide
CID 119447744
1-[2,5-dimethyl-1-(4-methylphenyl)pyrrol-3-yl]-2-(2-morpholin-4-ylethylamino)ethanone
CID 110654965
5-[(2,5-dimethyl-1-phenylpyrrole-3-carbonyl)amino]pentanoic acid
CID 119234907
1-benzyl-2,5-dimethyl-N-[2-(4-phenylpiperazin-1-yl)ethyl]pyrrole-3-carboxamide
CID 55602871
1,2-dimethyl-N-(2-morpholin-4-ylethyl)pyrrole-3-carboxamide
CID 91130996
1-[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]-2-(2-morpholin-4-ylethylamino)ethanone
CID 110654843
2-chloro-N-(2-morpholin-4-ylethyl)benzamide
CID 799090

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-N-(2-morpholin-4-ylethyl)-1-phenylpyrrole-3-carboxamide?
The IUPAC name of 2,5-dimethyl-N-(2-morpholin-4-ylethyl)-1-phenylpyrrole-3-carboxamide (CID 55348355) is 2,5-dimethyl-N-(2-morpholin-4-ylethyl)-1-phenylpyrrole-3-carboxamide.
What is the SMILES notation for 2,5-dimethyl-N-(2-morpholin-4-ylethyl)-1-phenylpyrrole-3-carboxamide?
The canonical SMILES for 2,5-dimethyl-N-(2-morpholin-4-ylethyl)-1-phenylpyrrole-3-carboxamide is Cc1cc(C(=O)NCCN2CCOCC2)c(C)n1-c1ccccc1.
What is the InChIKey of 2,5-dimethyl-N-(2-morpholin-4-ylethyl)-1-phenylpyrrole-3-carboxamide?
The InChIKey is DSYCQZSZJPPWSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O2/c1-15-14-18(16(2)22(15)17-6-4-3-5-7-17)19(23)20-8-9-21-10-12-24-13-11-21/h3-7,14H,8-13H2,1-2H3,(H,20,23).
What are the key properties of 2,5-dimethyl-N-(2-morpholin-4-ylethyl)-1-phenylpyrrole-3-carboxamide?
2,5-dimethyl-N-(2-morpholin-4-ylethyl)-1-phenylpyrrole-3-carboxamide has a molecular weight of 327.43 g/mol, XLogP of 2.16, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-N-(2-morpholin-4-ylethyl)-1-phenylpyrrole-3-carboxamide is sourced from PubChem (CID 55348355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).