3-[(3-methylphenyl)methoxy]-N-[2-(pyrrolidin-1-ylmethyl)phenyl]benzamide

C26H28N2O2 — CID 55676963

IUPAC3-[(3-methylphenyl)methoxy]-N-[2-(pyrrolidin-1-ylmethyl)phenyl]benzamide
SMILESCc1cccc(COc2cccc(C(=O)Nc3ccccc3CN3CCCC3)c2)c1
InChIInChI=1S/C26H28N2O2/c1-20-8-6-9-21(16-20)19-30-24-12-7-11-22(17-24)26(29)27-25-13-3-2-10-23(25)18-28-14-4-5-15-28/h2-3,6-13,16-17H,4-5,14-15,18-19H2,1H3,(H,27,29)
InChIKeyIMTBCEPTPBSNRH-UHFFFAOYSA-N
MW400.52 g/mol
LogP5.42
Rot. Bonds7

About 3-[(3-methylphenyl)methoxy]-N-[2-(pyrrolidin-1-ylmethyl)phenyl]benzamide

3-[(3-methylphenyl)methoxy]-N-[2-(pyrrolidin-1-ylmethyl)phenyl]benzamide (PubChem CID 55676963) has the molecular formula C26H28N2O2 and a molecular weight of 400.52 g/mol. Its IUPAC name is 3-[(3-methylphenyl)methoxy]-N-[2-(pyrrolidin-1-ylmethyl)phenyl]benzamide.

Molecular Properties

Compound Name3-[(3-methylphenyl)methoxy]-N-[2-(pyrrolidin-1-ylmethyl)phenyl]benzamide
PubChem CID55676963
Molecular FormulaC26H28N2O2
Molecular Weight400.52 g/mol
Exact Mass400.22
IUPAC Name3-[(3-methylphenyl)methoxy]-N-[2-(pyrrolidin-1-ylmethyl)phenyl]benzamide
SMILESCc1cccc(COc2cccc(C(=O)Nc3ccccc3CN3CCCC3)c2)c1
InChIInChI=1S/C26H28N2O2/c1-20-8-6-9-21(16-20)19-30-24-12-7-11-22(17-24)26(29)27-25-13-3-2-10-23(25)18-28-14-4-5-15-28/h2-3,6-13,16-17H,4-5,14-15,18-19H2,1H3,(H,27,29)
InChIKeyIMTBCEPTPBSNRH-UHFFFAOYSA-N
XLogP5.42
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.52
LogP ≤ 55.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-ethylphenyl)-3-phenylmethoxybenzamide
CID 801132
2-[2-[[3-[(3-phenylmethoxyphenyl)methoxy]benzoyl]amino]phenyl]acetic acid
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CID 3296520
3-[(3-methylphenyl)methoxy]-N-[4-(2-methylpropanoylamino)phenyl]benzamide
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3-[[3-[(3-methylphenyl)methoxy]benzoyl]amino]benzoic acid
CID 164625380
1-[4-[3-[(3-methylphenyl)methoxy]benzoyl]piperazin-1-yl]ethanone
CID 34840464
2,6-dimethyl-N-[2-(piperidin-1-ylmethyl)phenyl]pyridine-4-carboxamide
CID 131894977
1-[[2-[[3-[(3-fluorophenoxy)methyl]benzoyl]amino]phenyl]methyl]pyrrolidine-2-carboxamide
CID 86950776
3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[3-(pyrrolidin-1-ylmethyl)phenyl]benzamide
CID 46417031
N-propan-2-yl-2-[[3-(pyrrolidin-1-ylmethyl)benzoyl]amino]benzamide
CID 60560652
N-[(3-methylphenyl)methyl]-3-phenylmethoxybenzamide
CID 50875108
N-[2-(chloromethyl)phenyl]-3-methylbenzamide
CID 113271945

Frequently Asked Questions

What is the IUPAC name of 3-[(3-methylphenyl)methoxy]-N-[2-(pyrrolidin-1-ylmethyl)phenyl]benzamide?
The IUPAC name of 3-[(3-methylphenyl)methoxy]-N-[2-(pyrrolidin-1-ylmethyl)phenyl]benzamide (CID 55676963) is 3-[(3-methylphenyl)methoxy]-N-[2-(pyrrolidin-1-ylmethyl)phenyl]benzamide.
What is the SMILES notation for 3-[(3-methylphenyl)methoxy]-N-[2-(pyrrolidin-1-ylmethyl)phenyl]benzamide?
The canonical SMILES for 3-[(3-methylphenyl)methoxy]-N-[2-(pyrrolidin-1-ylmethyl)phenyl]benzamide is Cc1cccc(COc2cccc(C(=O)Nc3ccccc3CN3CCCC3)c2)c1.
What is the InChIKey of 3-[(3-methylphenyl)methoxy]-N-[2-(pyrrolidin-1-ylmethyl)phenyl]benzamide?
The InChIKey is IMTBCEPTPBSNRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N2O2/c1-20-8-6-9-21(16-20)19-30-24-12-7-11-22(17-24)26(29)27-25-13-3-2-10-23(25)18-28-14-4-5-15-28/h2-3,6-13,16-17H,4-5,14-15,18-19H2,1H3,(H,27,29).
What are the key properties of 3-[(3-methylphenyl)methoxy]-N-[2-(pyrrolidin-1-ylmethyl)phenyl]benzamide?
3-[(3-methylphenyl)methoxy]-N-[2-(pyrrolidin-1-ylmethyl)phenyl]benzamide has a molecular weight of 400.52 g/mol, XLogP of 5.42, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-methylphenyl)methoxy]-N-[2-(pyrrolidin-1-ylmethyl)phenyl]benzamide is sourced from PubChem (CID 55676963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).