N-[3-(dimethylcarbamoyl)phenyl]-2,5-dimethyl-1-(2-methylphenyl)pyrrole-3-carboxamide

C23H25N3O2 — CID 32848989

IUPACN-[3-(dimethylcarbamoyl)phenyl]-2,5-dimethyl-1-(2-methylphenyl)pyrrole-3-carboxamide
SMILESCc1ccccc1-n1c(C)cc(C(=O)Nc2cccc(C(=O)N(C)C)c2)c1C
InChIInChI=1S/C23H25N3O2/c1-15-9-6-7-12-21(15)26-16(2)13-20(17(26)3)22(27)24-19-11-8-10-18(14-19)23(28)25(4)5/h6-14H,1-5H3,(H,24,27)
InChIKeyLECPMCMSBQBQID-UHFFFAOYSA-N
MW375.47 g/mol
LogP4.36
Rot. Bonds4

About N-[3-(dimethylcarbamoyl)phenyl]-2,5-dimethyl-1-(2-methylphenyl)pyrrole-3-carboxamide

N-[3-(dimethylcarbamoyl)phenyl]-2,5-dimethyl-1-(2-methylphenyl)pyrrole-3-carboxamide (PubChem CID 32848989) has the molecular formula C23H25N3O2 and a molecular weight of 375.47 g/mol. Its IUPAC name is N-[3-(dimethylcarbamoyl)phenyl]-2,5-dimethyl-1-(2-methylphenyl)pyrrole-3-carboxamide.

Molecular Properties

Compound NameN-[3-(dimethylcarbamoyl)phenyl]-2,5-dimethyl-1-(2-methylphenyl)pyrrole-3-carboxamide
PubChem CID32848989
Molecular FormulaC23H25N3O2
Molecular Weight375.47 g/mol
Exact Mass375.19
IUPAC NameN-[3-(dimethylcarbamoyl)phenyl]-2,5-dimethyl-1-(2-methylphenyl)pyrrole-3-carboxamide
SMILESCc1ccccc1-n1c(C)cc(C(=O)Nc2cccc(C(=O)N(C)C)c2)c1C
InChIInChI=1S/C23H25N3O2/c1-15-9-6-7-12-21(15)26-16(2)13-20(17(26)3)22(27)24-19-11-8-10-18(14-19)23(28)25(4)5/h6-14H,1-5H3,(H,24,27)
InChIKeyLECPMCMSBQBQID-UHFFFAOYSA-N
XLogP4.36
TPSA54.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.47
LogP ≤ 54.36
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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Related Compounds

1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[3-(dimethylcarbamoyl)phenyl]-2,5-dimethylpyrrole-3-carboxamide
CID 35751971
N-(3-benzoylphenyl)-2,5-dimethyl-1-[2-(trifluoromethyl)phenyl]pyrrole-3-carboxamide
CID 59807841
N-(2-acetamidoethyl)-2,5-dimethyl-1-(2-methylphenyl)pyrrole-3-carboxamide
CID 167775581
N,N-dimethyl-3-[[4-[(2-methylphenyl)sulfamoyl]benzoyl]amino]benzamide
CID 30379157
N,N-dimethyl-3-[(4-phenylbenzoyl)amino]benzamide
CID 17231735
N-[3-(dimethylcarbamoyl)phenyl]-3-fluoro-4-methylbenzamide
CID 30379250
N-[3-(dimethylcarbamoyl)phenyl]-3-iodo-4-methylbenzamide
CID 17231812
N-[3-(dimethylcarbamoyl)phenyl]-2-ethylsulfonylbenzamide
CID 38154380
N-[3-(diethylcarbamoyl)phenyl]-2,5-dimethyl-1-propan-2-ylpyrrole-3-carboxamide
CID 78775472
3-[(4-acetamidobenzoyl)amino]-N,N-dimethylbenzamide
CID 134037398
3-[[2-(2,6-dimethylanilino)acetyl]amino]-N,N-dimethylbenzamide
CID 32908676
5-bromo-N-[3-(dimethylcarbamoyl)phenyl]-4-methylthiophene-2-carboxamide
CID 79914678

Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylcarbamoyl)phenyl]-2,5-dimethyl-1-(2-methylphenyl)pyrrole-3-carboxamide?
The IUPAC name of N-[3-(dimethylcarbamoyl)phenyl]-2,5-dimethyl-1-(2-methylphenyl)pyrrole-3-carboxamide (CID 32848989) is N-[3-(dimethylcarbamoyl)phenyl]-2,5-dimethyl-1-(2-methylphenyl)pyrrole-3-carboxamide.
What is the SMILES notation for N-[3-(dimethylcarbamoyl)phenyl]-2,5-dimethyl-1-(2-methylphenyl)pyrrole-3-carboxamide?
The canonical SMILES for N-[3-(dimethylcarbamoyl)phenyl]-2,5-dimethyl-1-(2-methylphenyl)pyrrole-3-carboxamide is Cc1ccccc1-n1c(C)cc(C(=O)Nc2cccc(C(=O)N(C)C)c2)c1C.
What is the InChIKey of N-[3-(dimethylcarbamoyl)phenyl]-2,5-dimethyl-1-(2-methylphenyl)pyrrole-3-carboxamide?
The InChIKey is LECPMCMSBQBQID-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O2/c1-15-9-6-7-12-21(15)26-16(2)13-20(17(26)3)22(27)24-19-11-8-10-18(14-19)23(28)25(4)5/h6-14H,1-5H3,(H,24,27).
What are the key properties of N-[3-(dimethylcarbamoyl)phenyl]-2,5-dimethyl-1-(2-methylphenyl)pyrrole-3-carboxamide?
N-[3-(dimethylcarbamoyl)phenyl]-2,5-dimethyl-1-(2-methylphenyl)pyrrole-3-carboxamide has a molecular weight of 375.47 g/mol, XLogP of 4.36, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylcarbamoyl)phenyl]-2,5-dimethyl-1-(2-methylphenyl)pyrrole-3-carboxamide is sourced from PubChem (CID 32848989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).