N-[4-[4-(2,3-dimethylphenyl)piperazin-1-yl]butyl]-1-ethyl-2-methyl-5-phenylpyrrole-3-carboxamide

C30H40N4O — CID 45279304

IUPACN-[4-[4-(2,3-dimethylphenyl)piperazin-1-yl]butyl]-1-ethyl-2-methyl-5-phenylpyrrole-3-carboxamide
SMILESCCn1c(-c2ccccc2)cc(C(=O)NCCCCN2CCN(c3cccc(C)c3C)CC2)c1C
InChIInChI=1S/C30H40N4O/c1-5-34-25(4)27(22-29(34)26-13-7-6-8-14-26)30(35)31-16-9-10-17-32-18-20-33(21-19-32)28-15-11-12-23(2)24(28)3/h6-8,11-15,22H,5,9-10,16-21H2,1-4H3,(H,31,35)
InChIKeyLMEZMYVOWBRDKV-UHFFFAOYSA-N
MW472.68 g/mol
LogP5.43
Rot. Bonds9

About N-[4-[4-(2,3-dimethylphenyl)piperazin-1-yl]butyl]-1-ethyl-2-methyl-5-phenylpyrrole-3-carboxamide

N-[4-[4-(2,3-dimethylphenyl)piperazin-1-yl]butyl]-1-ethyl-2-methyl-5-phenylpyrrole-3-carboxamide (PubChem CID 45279304) has the molecular formula C30H40N4O and a molecular weight of 472.68 g/mol. Its IUPAC name is N-[4-[4-(2,3-dimethylphenyl)piperazin-1-yl]butyl]-1-ethyl-2-methyl-5-phenylpyrrole-3-carboxamide.

Molecular Properties

Compound NameN-[4-[4-(2,3-dimethylphenyl)piperazin-1-yl]butyl]-1-ethyl-2-methyl-5-phenylpyrrole-3-carboxamide
PubChem CID45279304
Molecular FormulaC30H40N4O
Molecular Weight472.68 g/mol
Exact Mass472.32
IUPAC NameN-[4-[4-(2,3-dimethylphenyl)piperazin-1-yl]butyl]-1-ethyl-2-methyl-5-phenylpyrrole-3-carboxamide
SMILESCCn1c(-c2ccccc2)cc(C(=O)NCCCCN2CCN(c3cccc(C)c3C)CC2)c1C
InChIInChI=1S/C30H40N4O/c1-5-34-25(4)27(22-29(34)26-13-7-6-8-14-26)30(35)31-16-9-10-17-32-18-20-33(21-19-32)28-15-11-12-23(2)24(28)3/h6-8,11-15,22H,5,9-10,16-21H2,1-4H3,(H,31,35)
InChIKeyLMEZMYVOWBRDKV-UHFFFAOYSA-N
XLogP5.43
TPSA40.51 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500472.68
LogP ≤ 55.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[4-[4-(2,3-dimethylphenyl)piperazin-1-yl]butyl]-1-ethyl-2-methyl-5-phenylpyrrole-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[3-[4-(2,3-dimethylphenyl)piperazin-1-yl]propyl]-1-(4-fluorophenyl)-2-methyl-5-phenylpyrrole-3-carboxamide
CID 45278885
N-[3-[4-(2-cyanophenyl)piperazin-1-yl]propyl]-2-methyl-5-phenyl-1-propylpyrrole-3-carboxamide;hydrochloride
CID 67319410
N-[3-[4-(2,3-dichlorophenyl)piperazin-1-yl]propyl]-1-ethyl-5-(4-methoxyphenyl)-2-methylpyrrole-3-carboxamide;hydrochloride
CID 45279569
N-[3-[4-(2,3-dimethylphenyl)piperazin-1-yl]propyl]-5-methyl-1-(4-methylphenyl)-2-phenylimidazole-4-carboxamide
CID 67495094
N-[3-[4-(2,3-dimethylphenyl)piperazin-1-yl]propyl]-1-(2-fluorophenyl)-5-methyl-2-phenylimidazole-4-carboxamide;dihydrochloride
CID 67495492
N-[4-[4-(2,3-dimethylphenyl)piperazin-1-yl]butyl]anthracene-2-carboxamide;hydrochloride
CID 21202821
N-[3-[4-(2,3-dichlorophenyl)piperazin-1-yl]propyl]-2-methyl-5-phenyl-1-piperidin-1-ylpyrrole-3-carboxamide
CID 45278883
N-[3-[4-(2,3-dimethylphenyl)piperazin-1-yl]propyl]-2,5-dimethyl-1-phenylimidazole-4-carboxamide;dihydrochloride
CID 54576800
N-[3-[4-(2,3-dichlorophenyl)piperazin-1-yl]propyl]-1-(4-fluorophenyl)-2-methyl-5-phenylpyrrole-3-carboxamide
CID 45278886
1-(1,3-benzodioxol-5-yl)-N-[3-[4-(2,3-dimethylphenyl)piperazin-1-yl]propyl]-5-methyl-2-phenylimidazole-4-carboxamide;dihydrochloride
CID 67496046
N-[3-[4-(2,3-dimethylphenyl)piperazin-1-yl]propyl]-1-(2-fluorophenyl)-5-methyl-2-propylimidazole-4-carboxamide
CID 66899060
1-(3-chlorophenyl)-N-[3-[4-(2,3-dimethylphenyl)piperazin-1-yl]propyl]-2,5-dimethylimidazole-4-carboxamide;dihydrochloride
CID 54578320

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(2,3-dimethylphenyl)piperazin-1-yl]butyl]-1-ethyl-2-methyl-5-phenylpyrrole-3-carboxamide?
The IUPAC name of N-[4-[4-(2,3-dimethylphenyl)piperazin-1-yl]butyl]-1-ethyl-2-methyl-5-phenylpyrrole-3-carboxamide (CID 45279304) is N-[4-[4-(2,3-dimethylphenyl)piperazin-1-yl]butyl]-1-ethyl-2-methyl-5-phenylpyrrole-3-carboxamide.
What is the SMILES notation for N-[4-[4-(2,3-dimethylphenyl)piperazin-1-yl]butyl]-1-ethyl-2-methyl-5-phenylpyrrole-3-carboxamide?
The canonical SMILES for N-[4-[4-(2,3-dimethylphenyl)piperazin-1-yl]butyl]-1-ethyl-2-methyl-5-phenylpyrrole-3-carboxamide is CCn1c(-c2ccccc2)cc(C(=O)NCCCCN2CCN(c3cccc(C)c3C)CC2)c1C.
What is the InChIKey of N-[4-[4-(2,3-dimethylphenyl)piperazin-1-yl]butyl]-1-ethyl-2-methyl-5-phenylpyrrole-3-carboxamide?
The InChIKey is LMEZMYVOWBRDKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H40N4O/c1-5-34-25(4)27(22-29(34)26-13-7-6-8-14-26)30(35)31-16-9-10-17-32-18-20-33(21-19-32)28-15-11-12-23(2)24(28)3/h6-8,11-15,22H,5,9-10,16-21H2,1-4H3,(H,31,35).
What are the key properties of N-[4-[4-(2,3-dimethylphenyl)piperazin-1-yl]butyl]-1-ethyl-2-methyl-5-phenylpyrrole-3-carboxamide?
N-[4-[4-(2,3-dimethylphenyl)piperazin-1-yl]butyl]-1-ethyl-2-methyl-5-phenylpyrrole-3-carboxamide has a molecular weight of 472.68 g/mol, XLogP of 5.43, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(2,3-dimethylphenyl)piperazin-1-yl]butyl]-1-ethyl-2-methyl-5-phenylpyrrole-3-carboxamide is sourced from PubChem (CID 45279304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).