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

C26H32N2O — CID 5191452

IUPACN-benzyl-N-[[1-[(2-methylphenyl)methyl]pyrrol-2-yl]methyl]hexanamide
SMILESCCCCCC(=O)N(Cc1ccccc1)Cc1cccn1Cc1ccccc1C
InChIInChI=1S/C26H32N2O/c1-3-4-6-17-26(29)28(19-23-13-7-5-8-14-23)21-25-16-11-18-27(25)20-24-15-10-9-12-22(24)2/h5,7-16,18H,3-4,6,17,19-21H2,1-2H3
InChIKeyDRHIZRHFKVEOED-UHFFFAOYSA-N
MW388.56 g/mol
LogP5.95
Rot. Bonds10

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

N-benzyl-N-[[1-[(2-methylphenyl)methyl]pyrrol-2-yl]methyl]hexanamide (PubChem CID 5191452) has the molecular formula C26H32N2O and a molecular weight of 388.56 g/mol. Its IUPAC name is N-benzyl-N-[[1-[(2-methylphenyl)methyl]pyrrol-2-yl]methyl]hexanamide.

Molecular Properties

Compound NameN-benzyl-N-[[1-[(2-methylphenyl)methyl]pyrrol-2-yl]methyl]hexanamide
PubChem CID5191452
Molecular FormulaC26H32N2O
Molecular Weight388.56 g/mol
Exact Mass388.25
IUPAC NameN-benzyl-N-[[1-[(2-methylphenyl)methyl]pyrrol-2-yl]methyl]hexanamide
SMILESCCCCCC(=O)N(Cc1ccccc1)Cc1cccn1Cc1ccccc1C
InChIInChI=1S/C26H32N2O/c1-3-4-6-17-26(29)28(19-23-13-7-5-8-14-23)21-25-16-11-18-27(25)20-24-15-10-9-12-22(24)2/h5,7-16,18H,3-4,6,17,19-21H2,1-2H3
InChIKeyDRHIZRHFKVEOED-UHFFFAOYSA-N
XLogP5.95
TPSA25.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.56
LogP ≤ 55.95
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

1-benzyl-3-butyl-1-[[1-[(2-methylphenyl)methyl]pyrrol-2-yl]methyl]urea
CID 3963263
N-[[1-[(2-methylphenyl)methyl]pyrrol-2-yl]methyl]-N-pentylpropanamide
CID 5128894
N-[(1-benzylpyrrol-2-yl)methyl]-N-propylhexanamide
CID 4542851
N-benzyl-N-[[1-[(2-methylphenyl)methyl]pyrrol-2-yl]methyl]-2-phenylmethoxyacetamide
CID 3626139
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-4-fluoro-N-[[1-[(2-methylphenyl)methyl]pyrrol-2-yl]methyl]benzamide
CID 5041537
1-benzyl-1-[[1-[(2-methylphenyl)methyl]pyrrol-2-yl]methyl]-3-phenylurea
CID 3980588
N-benzyl-2-chloro-N-[[1-[(2-methylphenyl)methyl]pyrrol-2-yl]methyl]-2-phenylacetamide
CID 3646674
1-benzyl-3-(4-methylphenyl)-1-[[1-[(2-methylphenyl)methyl]pyrrol-2-yl]methyl]urea
CID 4612905
N-benzyl-N-[[1-[(4-fluorophenyl)methyl]pyrrol-2-yl]methyl]butanamide
CID 3553412
N-[2-[benzyl-[[1-[(3-methoxyphenyl)methyl]pyrrol-2-yl]methyl]amino]-2-oxoethyl]-N-butylhexanamide
CID 3688758

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-[[1-[(2-methylphenyl)methyl]pyrrol-2-yl]methyl]hexanamide?
The IUPAC name of N-benzyl-N-[[1-[(2-methylphenyl)methyl]pyrrol-2-yl]methyl]hexanamide (CID 5191452) is N-benzyl-N-[[1-[(2-methylphenyl)methyl]pyrrol-2-yl]methyl]hexanamide.
What is the SMILES notation for N-benzyl-N-[[1-[(2-methylphenyl)methyl]pyrrol-2-yl]methyl]hexanamide?
The canonical SMILES for N-benzyl-N-[[1-[(2-methylphenyl)methyl]pyrrol-2-yl]methyl]hexanamide is CCCCCC(=O)N(Cc1ccccc1)Cc1cccn1Cc1ccccc1C.
What is the InChIKey of N-benzyl-N-[[1-[(2-methylphenyl)methyl]pyrrol-2-yl]methyl]hexanamide?
The InChIKey is DRHIZRHFKVEOED-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N2O/c1-3-4-6-17-26(29)28(19-23-13-7-5-8-14-23)21-25-16-11-18-27(25)20-24-15-10-9-12-22(24)2/h5,7-16,18H,3-4,6,17,19-21H2,1-2H3.
What are the key properties of N-benzyl-N-[[1-[(2-methylphenyl)methyl]pyrrol-2-yl]methyl]hexanamide?
N-benzyl-N-[[1-[(2-methylphenyl)methyl]pyrrol-2-yl]methyl]hexanamide has a molecular weight of 388.56 g/mol, XLogP of 5.95, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-[[1-[(2-methylphenyl)methyl]pyrrol-2-yl]methyl]hexanamide is sourced from PubChem (CID 5191452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).