N-[[1-[(2-methylphenyl)methyl]pyrrol-2-yl]methyl]-N-pentylpropanamide

C21H30N2O — CID 5128894

IUPACN-[[1-[(2-methylphenyl)methyl]pyrrol-2-yl]methyl]-N-pentylpropanamide
SMILESCCCCCN(Cc1cccn1Cc1ccccc1C)C(=O)CC
InChIInChI=1S/C21H30N2O/c1-4-6-9-14-23(21(24)5-2)17-20-13-10-15-22(20)16-19-12-8-7-11-18(19)3/h7-8,10-13,15H,4-6,9,14,16-17H2,1-3H3
InChIKeyQIHRKMVQGFRYQZ-UHFFFAOYSA-N
MW326.48 g/mol
LogP4.77
Rot. Bonds9

About N-[[1-[(2-methylphenyl)methyl]pyrrol-2-yl]methyl]-N-pentylpropanamide

N-[[1-[(2-methylphenyl)methyl]pyrrol-2-yl]methyl]-N-pentylpropanamide (PubChem CID 5128894) has the molecular formula C21H30N2O and a molecular weight of 326.48 g/mol. Its IUPAC name is N-[[1-[(2-methylphenyl)methyl]pyrrol-2-yl]methyl]-N-pentylpropanamide.

Molecular Properties

Compound NameN-[[1-[(2-methylphenyl)methyl]pyrrol-2-yl]methyl]-N-pentylpropanamide
PubChem CID5128894
Molecular FormulaC21H30N2O
Molecular Weight326.48 g/mol
Exact Mass326.24
IUPAC NameN-[[1-[(2-methylphenyl)methyl]pyrrol-2-yl]methyl]-N-pentylpropanamide
SMILESCCCCCN(Cc1cccn1Cc1ccccc1C)C(=O)CC
InChIInChI=1S/C21H30N2O/c1-4-6-9-14-23(21(24)5-2)17-20-13-10-15-22(20)16-19-12-8-7-11-18(19)3/h7-8,10-13,15H,4-6,9,14,16-17H2,1-3H3
InChIKeyQIHRKMVQGFRYQZ-UHFFFAOYSA-N
XLogP4.77
TPSA25.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.48
LogP ≤ 54.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-[[1-[(2-methylphenyl)methyl]pyrrol-2-yl]methyl]-N-pentylpropanamide 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

4-methyl-N-[[1-[(2-methylphenyl)methyl]pyrrol-2-yl]methyl]-N-pentylbenzamide
CID 4317196
N-[[1-[(2-methylphenyl)methyl]pyrrol-2-yl]methyl]-N-pentylfuran-2-carboxamide
CID 42763815
N-benzyl-N-[[1-[(2-methylphenyl)methyl]pyrrol-2-yl]methyl]hexanamide
CID 5191452
3-(4-chlorophenyl)-1-[[1-[(2-methylphenyl)methyl]pyrrol-2-yl]methyl]-1-pentylurea
CID 5023258
N-butyl-N-[[1-[(2-methylphenyl)methyl]pyrrol-2-yl]methyl]-4-(trifluoromethyl)benzamide
CID 3942551
3-(4-bromophenyl)-1-butyl-1-[[1-[(2-methylphenyl)methyl]pyrrol-2-yl]methyl]urea
CID 4574835
N-[(1-benzylpyrrol-2-yl)methyl]-2-chloro-N-pentylacetamide
CID 3288101
N-(3-methoxypropyl)-N-[[1-[(2-methylphenyl)methyl]pyrrol-2-yl]methyl]acetamide
CID 42763820
N-[(1-benzylpyrrol-2-yl)methyl]-2-methoxy-N-pentylacetamide
CID 4574832
1-benzyl-3-butyl-1-[[1-[(2-methylphenyl)methyl]pyrrol-2-yl]methyl]urea
CID 3963263
1-butyl-3-(3,5-dimethoxyphenyl)-1-[[1-[(2-methylphenyl)methyl]pyrrol-2-yl]methyl]urea
CID 4285043
N-pentyl-N-[[1-[[3-(trifluoromethyl)phenyl]methyl]pyrrol-2-yl]methyl]propanamide
CID 5032060

Frequently Asked Questions

What is the IUPAC name of N-[[1-[(2-methylphenyl)methyl]pyrrol-2-yl]methyl]-N-pentylpropanamide?
The IUPAC name of N-[[1-[(2-methylphenyl)methyl]pyrrol-2-yl]methyl]-N-pentylpropanamide (CID 5128894) is N-[[1-[(2-methylphenyl)methyl]pyrrol-2-yl]methyl]-N-pentylpropanamide.
What is the SMILES notation for N-[[1-[(2-methylphenyl)methyl]pyrrol-2-yl]methyl]-N-pentylpropanamide?
The canonical SMILES for N-[[1-[(2-methylphenyl)methyl]pyrrol-2-yl]methyl]-N-pentylpropanamide is CCCCCN(Cc1cccn1Cc1ccccc1C)C(=O)CC.
What is the InChIKey of N-[[1-[(2-methylphenyl)methyl]pyrrol-2-yl]methyl]-N-pentylpropanamide?
The InChIKey is QIHRKMVQGFRYQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N2O/c1-4-6-9-14-23(21(24)5-2)17-20-13-10-15-22(20)16-19-12-8-7-11-18(19)3/h7-8,10-13,15H,4-6,9,14,16-17H2,1-3H3.
What are the key properties of N-[[1-[(2-methylphenyl)methyl]pyrrol-2-yl]methyl]-N-pentylpropanamide?
N-[[1-[(2-methylphenyl)methyl]pyrrol-2-yl]methyl]-N-pentylpropanamide has a molecular weight of 326.48 g/mol, XLogP of 4.77, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(2-methylphenyl)methyl]pyrrol-2-yl]methyl]-N-pentylpropanamide is sourced from PubChem (CID 5128894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).