N-[(2,5-dimethyl-1-phenylpyrrol-3-yl)methyl]cyclobutanecarboxamide

C18H22N2O — CID 110642184

IUPACN-[(2,5-dimethyl-1-phenylpyrrol-3-yl)methyl]cyclobutanecarboxamide
SMILESCc1cc(CNC(=O)C2CCC2)c(C)n1-c1ccccc1
InChIInChI=1S/C18H22N2O/c1-13-11-16(12-19-18(21)15-7-6-8-15)14(2)20(13)17-9-4-3-5-10-17/h3-5,9-11,15H,6-8,12H2,1-2H3,(H,19,21)
InChIKeyQIUAODJFPZANKW-UHFFFAOYSA-N
MW282.39 g/mol
LogP3.51
Rot. Bonds4

About N-[(2,5-dimethyl-1-phenylpyrrol-3-yl)methyl]cyclobutanecarboxamide

N-[(2,5-dimethyl-1-phenylpyrrol-3-yl)methyl]cyclobutanecarboxamide (PubChem CID 110642184) has the molecular formula C18H22N2O and a molecular weight of 282.39 g/mol. Its IUPAC name is N-[(2,5-dimethyl-1-phenylpyrrol-3-yl)methyl]cyclobutanecarboxamide.

Molecular Properties

Compound NameN-[(2,5-dimethyl-1-phenylpyrrol-3-yl)methyl]cyclobutanecarboxamide
PubChem CID110642184
Molecular FormulaC18H22N2O
Molecular Weight282.39 g/mol
Exact Mass282.17
IUPAC NameN-[(2,5-dimethyl-1-phenylpyrrol-3-yl)methyl]cyclobutanecarboxamide
SMILESCc1cc(CNC(=O)C2CCC2)c(C)n1-c1ccccc1
InChIInChI=1S/C18H22N2O/c1-13-11-16(12-19-18(21)15-7-6-8-15)14(2)20(13)17-9-4-3-5-10-17/h3-5,9-11,15H,6-8,12H2,1-2H3,(H,19,21)
InChIKeyQIUAODJFPZANKW-UHFFFAOYSA-N
XLogP3.51
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-[(2,5-dimethyl-1-phenylpyrrol-3-yl)methyl]cyclobutanecarboxamide 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

1-cyclohexyl-3-[(2,5-dimethyl-1-phenylpyrrol-3-yl)methyl]urea
CID 110642175
N-[2-[2-(2,5-dimethyl-1-phenylpyrrole-3-carbonyl)hydrazinyl]-2-oxoethyl]cyclohexanecarboxamide
CID 2437967
2-[(2,5-dimethyl-1-phenylpyrrol-3-yl)methylamino]propanoic acid
CID 61499817
N-[(2,5-dimethyl-1-phenylpyrrol-3-yl)methyl]-2-thiophen-2-ylacetamide
CID 110642169
N-benzylcyclobutanecarboxamide
CID 730128
N-[(2-chlorophenyl)methyl]cyclobutanecarboxamide
CID 17173308
3-[(2,5-dimethyl-1-phenylpyrrol-3-yl)methylamino]propanamide
CID 43553150
N-[(2-hydroxyphenyl)methyl]cyclopentanecarboxamide
CID 110470991
4-[(2,5-dimethyl-1-phenylpyrrol-3-yl)methylamino]butanamide
CID 60865560
N-[(2,5-dimethyl-1-phenylpyrrol-3-yl)methyl]-2-methylpropan-2-amine
CID 43154800
N-benzylcyclopentanecarboxamide
CID 835634
N-[(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)methyl]cyclobutanecarboxamide
CID 49013807

Frequently Asked Questions

What is the IUPAC name of N-[(2,5-dimethyl-1-phenylpyrrol-3-yl)methyl]cyclobutanecarboxamide?
The IUPAC name of N-[(2,5-dimethyl-1-phenylpyrrol-3-yl)methyl]cyclobutanecarboxamide (CID 110642184) is N-[(2,5-dimethyl-1-phenylpyrrol-3-yl)methyl]cyclobutanecarboxamide.
What is the SMILES notation for N-[(2,5-dimethyl-1-phenylpyrrol-3-yl)methyl]cyclobutanecarboxamide?
The canonical SMILES for N-[(2,5-dimethyl-1-phenylpyrrol-3-yl)methyl]cyclobutanecarboxamide is Cc1cc(CNC(=O)C2CCC2)c(C)n1-c1ccccc1.
What is the InChIKey of N-[(2,5-dimethyl-1-phenylpyrrol-3-yl)methyl]cyclobutanecarboxamide?
The InChIKey is QIUAODJFPZANKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O/c1-13-11-16(12-19-18(21)15-7-6-8-15)14(2)20(13)17-9-4-3-5-10-17/h3-5,9-11,15H,6-8,12H2,1-2H3,(H,19,21).
What are the key properties of N-[(2,5-dimethyl-1-phenylpyrrol-3-yl)methyl]cyclobutanecarboxamide?
N-[(2,5-dimethyl-1-phenylpyrrol-3-yl)methyl]cyclobutanecarboxamide has a molecular weight of 282.39 g/mol, XLogP of 3.51, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,5-dimethyl-1-phenylpyrrol-3-yl)methyl]cyclobutanecarboxamide is sourced from PubChem (CID 110642184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).