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

C26H32N2O — CID 4317196

IUPAC4-methyl-N-[[1-[(2-methylphenyl)methyl]pyrrol-2-yl]methyl]-N-pentylbenzamide
SMILESCCCCCN(Cc1cccn1Cc1ccccc1C)C(=O)c1ccc(C)cc1
InChIInChI=1S/C26H32N2O/c1-4-5-8-17-28(26(29)23-15-13-21(2)14-16-23)20-25-12-9-18-27(25)19-24-11-7-6-10-22(24)3/h6-7,9-16,18H,4-5,8,17,19-20H2,1-3H3
InChIKeyLSELVELQQZQVFI-UHFFFAOYSA-N
MW388.56 g/mol
LogP5.99
Rot. Bonds9

About 4-methyl-N-[[1-[(2-methylphenyl)methyl]pyrrol-2-yl]methyl]-N-pentylbenzamide

4-methyl-N-[[1-[(2-methylphenyl)methyl]pyrrol-2-yl]methyl]-N-pentylbenzamide (PubChem CID 4317196) has the molecular formula C26H32N2O and a molecular weight of 388.56 g/mol. Its IUPAC name is 4-methyl-N-[[1-[(2-methylphenyl)methyl]pyrrol-2-yl]methyl]-N-pentylbenzamide.

Molecular Properties

Compound Name4-methyl-N-[[1-[(2-methylphenyl)methyl]pyrrol-2-yl]methyl]-N-pentylbenzamide
PubChem CID4317196
Molecular FormulaC26H32N2O
Molecular Weight388.56 g/mol
Exact Mass388.25
IUPAC Name4-methyl-N-[[1-[(2-methylphenyl)methyl]pyrrol-2-yl]methyl]-N-pentylbenzamide
SMILESCCCCCN(Cc1cccn1Cc1ccccc1C)C(=O)c1ccc(C)cc1
InChIInChI=1S/C26H32N2O/c1-4-5-8-17-28(26(29)23-15-13-21(2)14-16-23)20-25-12-9-18-27(25)19-24-11-7-6-10-22(24)3/h6-7,9-16,18H,4-5,8,17,19-20H2,1-3H3
InChIKeyLSELVELQQZQVFI-UHFFFAOYSA-N
XLogP5.99
TPSA25.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.56
LogP ≤ 55.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-butyl-N-[[1-[(2-methylphenyl)methyl]pyrrol-2-yl]methyl]-4-(trifluoromethyl)benzamide
CID 3942551
N-[[1-[(2-methylphenyl)methyl]pyrrol-2-yl]methyl]-N-pentylpropanamide
CID 5128894
N-[[1-[(4-fluorophenyl)methyl]pyrrol-2-yl]methyl]-4-methyl-N-pentylbenzamide
CID 4684225
N-[[1-[(2-methylphenyl)methyl]pyrrol-2-yl]methyl]-N-pentylfuran-2-carboxamide
CID 42763815
4-fluoro-N-(3-methoxypropyl)-N-[[1-[(2-methylphenyl)methyl]pyrrol-2-yl]methyl]benzamide
CID 5182735
N-benzyl-N-[[1-[(2-methylphenyl)methyl]pyrrol-2-yl]methyl]hexanamide
CID 5191452
N-butyl-N-[[1-[(2-chlorophenyl)methyl]pyrrol-2-yl]methyl]benzamide
CID 3570217
N-[[1-[(3-methoxyphenyl)methyl]pyrrol-2-yl]methyl]-4-methyl-N-pentylbenzamide
CID 5030621
N-benzyl-4-fluoro-N-[[1-[(2-methylphenyl)methyl]pyrrol-2-yl]methyl]benzamide
CID 5041537
3-(4-chlorophenyl)-1-[[1-[(2-methylphenyl)methyl]pyrrol-2-yl]methyl]-1-pentylurea
CID 5023258
N-[2-[butan-2-yl-[[1-[(2-methylphenyl)methyl]pyrrol-2-yl]methyl]amino]-2-oxoethyl]-4-butoxy-N-butylbenzamide
CID 42777917
1-benzyl-3-butyl-1-[[1-[(2-methylphenyl)methyl]pyrrol-2-yl]methyl]urea
CID 3963263

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[[1-[(2-methylphenyl)methyl]pyrrol-2-yl]methyl]-N-pentylbenzamide?
The IUPAC name of 4-methyl-N-[[1-[(2-methylphenyl)methyl]pyrrol-2-yl]methyl]-N-pentylbenzamide (CID 4317196) is 4-methyl-N-[[1-[(2-methylphenyl)methyl]pyrrol-2-yl]methyl]-N-pentylbenzamide.
What is the SMILES notation for 4-methyl-N-[[1-[(2-methylphenyl)methyl]pyrrol-2-yl]methyl]-N-pentylbenzamide?
The canonical SMILES for 4-methyl-N-[[1-[(2-methylphenyl)methyl]pyrrol-2-yl]methyl]-N-pentylbenzamide is CCCCCN(Cc1cccn1Cc1ccccc1C)C(=O)c1ccc(C)cc1.
What is the InChIKey of 4-methyl-N-[[1-[(2-methylphenyl)methyl]pyrrol-2-yl]methyl]-N-pentylbenzamide?
The InChIKey is LSELVELQQZQVFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N2O/c1-4-5-8-17-28(26(29)23-15-13-21(2)14-16-23)20-25-12-9-18-27(25)19-24-11-7-6-10-22(24)3/h6-7,9-16,18H,4-5,8,17,19-20H2,1-3H3.
What are the key properties of 4-methyl-N-[[1-[(2-methylphenyl)methyl]pyrrol-2-yl]methyl]-N-pentylbenzamide?
4-methyl-N-[[1-[(2-methylphenyl)methyl]pyrrol-2-yl]methyl]-N-pentylbenzamide has a molecular weight of 388.56 g/mol, XLogP of 5.99, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[[1-[(2-methylphenyl)methyl]pyrrol-2-yl]methyl]-N-pentylbenzamide is sourced from PubChem (CID 4317196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).