N-[3-(3-methylphenoxy)propyl]-4-pyrrol-1-ylbenzamide

C21H22N2O2 — CID 24533410

IUPACN-[3-(3-methylphenoxy)propyl]-4-pyrrol-1-ylbenzamide
SMILESCc1cccc(OCCCNC(=O)c2ccc(-n3cccc3)cc2)c1
InChIInChI=1S/C21H22N2O2/c1-17-6-4-7-20(16-17)25-15-5-12-22-21(24)18-8-10-19(11-9-18)23-13-2-3-14-23/h2-4,6-11,13-14,16H,5,12,15H2,1H3,(H,22,24)
InChIKeyWEEQPNBOOSDVDF-UHFFFAOYSA-N
MW334.42 g/mol
LogP3.98
Rot. Bonds7

About N-[3-(3-methylphenoxy)propyl]-4-pyrrol-1-ylbenzamide

N-[3-(3-methylphenoxy)propyl]-4-pyrrol-1-ylbenzamide (PubChem CID 24533410) has the molecular formula C21H22N2O2 and a molecular weight of 334.42 g/mol. Its IUPAC name is N-[3-(3-methylphenoxy)propyl]-4-pyrrol-1-ylbenzamide.

Molecular Properties

Compound NameN-[3-(3-methylphenoxy)propyl]-4-pyrrol-1-ylbenzamide
PubChem CID24533410
Molecular FormulaC21H22N2O2
Molecular Weight334.42 g/mol
Exact Mass334.17
IUPAC NameN-[3-(3-methylphenoxy)propyl]-4-pyrrol-1-ylbenzamide
SMILESCc1cccc(OCCCNC(=O)c2ccc(-n3cccc3)cc2)c1
InChIInChI=1S/C21H22N2O2/c1-17-6-4-7-20(16-17)25-15-5-12-22-21(24)18-8-10-19(11-9-18)23-13-2-3-14-23/h2-4,6-11,13-14,16H,5,12,15H2,1H3,(H,22,24)
InChIKeyWEEQPNBOOSDVDF-UHFFFAOYSA-N
XLogP3.98
TPSA43.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(3-methylphenoxy)propyl]-4-[(R)-methylsulfinyl]benzamide
CID 30299875
3-methoxy-N-[3-(3-methylphenoxy)propyl]benzamide
CID 24533352
N-[2-(3-methylphenoxy)ethyl]-4-(trifluoromethyl)benzamide
CID 27859219
4-(bromomethyl)-N-[2-(3-methylphenoxy)ethyl]benzamide
CID 102851528
N-[[3-(2-methoxyethoxy)phenyl]methyl]-4-pyrrol-1-ylbenzamide
CID 55801473
4-(methoxysulfamoyl)-N-[3-(3-methylphenoxy)propyl]benzamide
CID 55706676
2-(3-methylphenoxy)-N-[3-(3-methylphenoxy)propyl]acetamide
CID 24533364
N-[3-[4-(3-methylphenyl)piperazin-1-yl]propyl]-4-pyrrol-1-ylbenzamide
CID 46447895
6-methyl-N-[2-(3-methylphenoxy)ethyl]pyridine-3-carboxamide
CID 18148810
4-[2-(methanesulfonamido)ethyl]-N-[2-(3-methylphenoxy)ethyl]benzamide
CID 27021904
3,5-dimethyl-N-[2-[3-(3-methylphenoxy)propylamino]-2-oxoethyl]benzamide
CID 24552780
N-[2-[3-(3-methylphenoxy)propylamino]-2-oxoethyl]-4-propan-2-yloxybenzamide
CID 24552786

Frequently Asked Questions

What is the IUPAC name of N-[3-(3-methylphenoxy)propyl]-4-pyrrol-1-ylbenzamide?
The IUPAC name of N-[3-(3-methylphenoxy)propyl]-4-pyrrol-1-ylbenzamide (CID 24533410) is N-[3-(3-methylphenoxy)propyl]-4-pyrrol-1-ylbenzamide.
What is the SMILES notation for N-[3-(3-methylphenoxy)propyl]-4-pyrrol-1-ylbenzamide?
The canonical SMILES for N-[3-(3-methylphenoxy)propyl]-4-pyrrol-1-ylbenzamide is Cc1cccc(OCCCNC(=O)c2ccc(-n3cccc3)cc2)c1.
What is the InChIKey of N-[3-(3-methylphenoxy)propyl]-4-pyrrol-1-ylbenzamide?
The InChIKey is WEEQPNBOOSDVDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O2/c1-17-6-4-7-20(16-17)25-15-5-12-22-21(24)18-8-10-19(11-9-18)23-13-2-3-14-23/h2-4,6-11,13-14,16H,5,12,15H2,1H3,(H,22,24).
What are the key properties of N-[3-(3-methylphenoxy)propyl]-4-pyrrol-1-ylbenzamide?
N-[3-(3-methylphenoxy)propyl]-4-pyrrol-1-ylbenzamide has a molecular weight of 334.42 g/mol, XLogP of 3.98, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3-methylphenoxy)propyl]-4-pyrrol-1-ylbenzamide is sourced from PubChem (CID 24533410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).