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

C23H28N2O2 — CID 42763815

IUPACN-[[1-[(2-methylphenyl)methyl]pyrrol-2-yl]methyl]-N-pentylfuran-2-carboxamide
SMILESCCCCCN(Cc1cccn1Cc1ccccc1C)C(=O)c1ccco1
InChIInChI=1S/C23H28N2O2/c1-3-4-7-14-25(23(26)22-13-9-16-27-22)18-21-12-8-15-24(21)17-20-11-6-5-10-19(20)2/h5-6,8-13,15-16H,3-4,7,14,17-18H2,1-2H3
InChIKeyQVRXRTIFHLVXPK-UHFFFAOYSA-N
MW364.49 g/mol
LogP5.27
Rot. Bonds9

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

N-[[1-[(2-methylphenyl)methyl]pyrrol-2-yl]methyl]-N-pentylfuran-2-carboxamide (PubChem CID 42763815) has the molecular formula C23H28N2O2 and a molecular weight of 364.49 g/mol. Its IUPAC name is N-[[1-[(2-methylphenyl)methyl]pyrrol-2-yl]methyl]-N-pentylfuran-2-carboxamide.

Molecular Properties

Compound NameN-[[1-[(2-methylphenyl)methyl]pyrrol-2-yl]methyl]-N-pentylfuran-2-carboxamide
PubChem CID42763815
Molecular FormulaC23H28N2O2
Molecular Weight364.49 g/mol
Exact Mass364.22
IUPAC NameN-[[1-[(2-methylphenyl)methyl]pyrrol-2-yl]methyl]-N-pentylfuran-2-carboxamide
SMILESCCCCCN(Cc1cccn1Cc1ccccc1C)C(=O)c1ccco1
InChIInChI=1S/C23H28N2O2/c1-3-4-7-14-25(23(26)22-13-9-16-27-22)18-21-12-8-15-24(21)17-20-11-6-5-10-19(20)2/h5-6,8-13,15-16H,3-4,7,14,17-18H2,1-2H3
InChIKeyQVRXRTIFHLVXPK-UHFFFAOYSA-N
XLogP5.27
TPSA38.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.49
LogP ≤ 55.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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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-pentylpropanamide
CID 5128894
N-benzyl-N-[[1-[(2-methylphenyl)methyl]pyrrol-2-yl]methyl]hexanamide
CID 5191452
N-[2-[butan-2-yl-[[1-[(2-methylphenyl)methyl]pyrrol-2-yl]methyl]amino]-2-oxoethyl]-N-(2-methoxyethyl)furan-2-carboxamide
CID 42777978
1-benzyl-3-butyl-1-[[1-[(2-methylphenyl)methyl]pyrrol-2-yl]methyl]urea
CID 3963263
N-butyl-N-[[1-[(2-methylphenyl)methyl]pyrrol-2-yl]methyl]-4-(trifluoromethyl)benzamide
CID 3942551
N-[[1-[(3-chlorophenyl)methyl]pyrrol-2-yl]methyl]-2-methyl-N-pentylbenzamide
CID 3358975
3-(4-chlorophenyl)-1-[[1-[(2-methylphenyl)methyl]pyrrol-2-yl]methyl]-1-pentylurea
CID 5023258
N-ethyl-N-[2-oxo-2-[pentyl-[[1-[[3-(trifluoromethyl)phenyl]methyl]pyrrol-2-yl]methyl]amino]ethyl]furan-2-carboxamide
CID 4020015
3-butyl-1-[[1-[(2-methylphenyl)methyl]pyrrol-2-yl]methyl]-1-prop-2-enylurea
CID 4034927
N-butyl-N-decylfuran-2-carboxamide
CID 91700689
3-(4-bromophenyl)-1-butyl-1-[[1-[(2-methylphenyl)methyl]pyrrol-2-yl]methyl]urea
CID 4574835

Frequently Asked Questions

What is the IUPAC name of N-[[1-[(2-methylphenyl)methyl]pyrrol-2-yl]methyl]-N-pentylfuran-2-carboxamide?
The IUPAC name of N-[[1-[(2-methylphenyl)methyl]pyrrol-2-yl]methyl]-N-pentylfuran-2-carboxamide (CID 42763815) is N-[[1-[(2-methylphenyl)methyl]pyrrol-2-yl]methyl]-N-pentylfuran-2-carboxamide.
What is the SMILES notation for N-[[1-[(2-methylphenyl)methyl]pyrrol-2-yl]methyl]-N-pentylfuran-2-carboxamide?
The canonical SMILES for N-[[1-[(2-methylphenyl)methyl]pyrrol-2-yl]methyl]-N-pentylfuran-2-carboxamide is CCCCCN(Cc1cccn1Cc1ccccc1C)C(=O)c1ccco1.
What is the InChIKey of N-[[1-[(2-methylphenyl)methyl]pyrrol-2-yl]methyl]-N-pentylfuran-2-carboxamide?
The InChIKey is QVRXRTIFHLVXPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O2/c1-3-4-7-14-25(23(26)22-13-9-16-27-22)18-21-12-8-15-24(21)17-20-11-6-5-10-19(20)2/h5-6,8-13,15-16H,3-4,7,14,17-18H2,1-2H3.
What are the key properties of N-[[1-[(2-methylphenyl)methyl]pyrrol-2-yl]methyl]-N-pentylfuran-2-carboxamide?
N-[[1-[(2-methylphenyl)methyl]pyrrol-2-yl]methyl]-N-pentylfuran-2-carboxamide has a molecular weight of 364.49 g/mol, XLogP of 5.27, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(2-methylphenyl)methyl]pyrrol-2-yl]methyl]-N-pentylfuran-2-carboxamide is sourced from PubChem (CID 42763815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).