N-[(1,5-dimethylpyrrol-2-yl)methyl]-3-[(3-methylphenyl)methoxy]benzamide

C22H24N2O2 — CID 32619190

IUPACN-[(1,5-dimethylpyrrol-2-yl)methyl]-3-[(3-methylphenyl)methoxy]benzamide
SMILESCc1cccc(COc2cccc(C(=O)NCc3ccc(C)n3C)c2)c1
InChIInChI=1S/C22H24N2O2/c1-16-6-4-7-18(12-16)15-26-21-9-5-8-19(13-21)22(25)23-14-20-11-10-17(2)24(20)3/h4-13H,14-15H2,1-3H3,(H,23,25)
InChIKeyXTZZSZBSCYONPK-UHFFFAOYSA-N
MW348.45 g/mol
LogP4.15
Rot. Bonds6

About N-[(1,5-dimethylpyrrol-2-yl)methyl]-3-[(3-methylphenyl)methoxy]benzamide

N-[(1,5-dimethylpyrrol-2-yl)methyl]-3-[(3-methylphenyl)methoxy]benzamide (PubChem CID 32619190) has the molecular formula C22H24N2O2 and a molecular weight of 348.45 g/mol. Its IUPAC name is N-[(1,5-dimethylpyrrol-2-yl)methyl]-3-[(3-methylphenyl)methoxy]benzamide.

Molecular Properties

Compound NameN-[(1,5-dimethylpyrrol-2-yl)methyl]-3-[(3-methylphenyl)methoxy]benzamide
PubChem CID32619190
Molecular FormulaC22H24N2O2
Molecular Weight348.45 g/mol
Exact Mass348.18
IUPAC NameN-[(1,5-dimethylpyrrol-2-yl)methyl]-3-[(3-methylphenyl)methoxy]benzamide
SMILESCc1cccc(COc2cccc(C(=O)NCc3ccc(C)n3C)c2)c1
InChIInChI=1S/C22H24N2O2/c1-16-6-4-7-18(12-16)15-26-21-9-5-8-19(13-21)22(25)23-14-20-11-10-17(2)24(20)3/h4-13H,14-15H2,1-3H3,(H,23,25)
InChIKeyXTZZSZBSCYONPK-UHFFFAOYSA-N
XLogP4.15
TPSA43.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3-methylphenyl)methyl]-3-phenylmethoxybenzamide
CID 50875108
3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[(1,5-dimethylpyrrol-2-yl)methyl]benzamide
CID 17441984
3-[[[3-[(3-methylphenyl)methoxy]benzoyl]amino]methyl]benzamide
CID 33097042
N-[2-(ethylamino)ethyl]-3-[(3-methylphenyl)methoxy]benzamide;hydrochloride
CID 119508535
N-[(1,5-dimethylpyrrol-2-yl)methyl]-3-iodobenzamide
CID 31217494
methyl 2-methyl-5-[[[3-[(3-methylphenyl)methoxy]benzoyl]amino]methyl]furan-3-carboxylate
CID 55612622
N-(3-amino-2-methylpropyl)-3-[(3-methylphenyl)methoxy]benzamide;hydrochloride
CID 119995953
N-[2-(2,6-dimethylmorpholin-4-yl)ethyl]-3-[(3-methylphenyl)methoxy]benzamide
CID 55526447
methyl 6-[[3-[(3-methylphenyl)methoxy]benzoyl]amino]hexanoate
CID 46557017
N'-[3-[(3-methylphenyl)methoxy]benzoyl]pyridine-3-carbohydrazide
CID 35153545
3-[[3-[(3-methylphenyl)methoxy]benzoyl]amino]butanoic acid
CID 119220727
3-[[3-[(3-methylphenyl)methoxy]benzoyl]amino]benzoic acid
CID 164625380

Frequently Asked Questions

What is the IUPAC name of N-[(1,5-dimethylpyrrol-2-yl)methyl]-3-[(3-methylphenyl)methoxy]benzamide?
The IUPAC name of N-[(1,5-dimethylpyrrol-2-yl)methyl]-3-[(3-methylphenyl)methoxy]benzamide (CID 32619190) is N-[(1,5-dimethylpyrrol-2-yl)methyl]-3-[(3-methylphenyl)methoxy]benzamide.
What is the SMILES notation for N-[(1,5-dimethylpyrrol-2-yl)methyl]-3-[(3-methylphenyl)methoxy]benzamide?
The canonical SMILES for N-[(1,5-dimethylpyrrol-2-yl)methyl]-3-[(3-methylphenyl)methoxy]benzamide is Cc1cccc(COc2cccc(C(=O)NCc3ccc(C)n3C)c2)c1.
What is the InChIKey of N-[(1,5-dimethylpyrrol-2-yl)methyl]-3-[(3-methylphenyl)methoxy]benzamide?
The InChIKey is XTZZSZBSCYONPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O2/c1-16-6-4-7-18(12-16)15-26-21-9-5-8-19(13-21)22(25)23-14-20-11-10-17(2)24(20)3/h4-13H,14-15H2,1-3H3,(H,23,25).
What are the key properties of N-[(1,5-dimethylpyrrol-2-yl)methyl]-3-[(3-methylphenyl)methoxy]benzamide?
N-[(1,5-dimethylpyrrol-2-yl)methyl]-3-[(3-methylphenyl)methoxy]benzamide has a molecular weight of 348.45 g/mol, XLogP of 4.15, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1,5-dimethylpyrrol-2-yl)methyl]-3-[(3-methylphenyl)methoxy]benzamide is sourced from PubChem (CID 32619190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).