3-[(3-methylphenyl)methoxy]-N-[4-(2-methylpropanoylamino)phenyl]benzamide

C25H26N2O3 — CID 46517813

IUPAC3-[(3-methylphenyl)methoxy]-N-[4-(2-methylpropanoylamino)phenyl]benzamide
SMILESCc1cccc(COc2cccc(C(=O)Nc3ccc(NC(=O)C(C)C)cc3)c2)c1
InChIInChI=1S/C25H26N2O3/c1-17(2)24(28)26-21-10-12-22(13-11-21)27-25(29)20-8-5-9-23(15-20)30-16-19-7-4-6-18(3)14-19/h4-15,17H,16H2,1-3H3,(H,26,28)(H,27,29)
InChIKeyUGJUMRIJZUSPSM-UHFFFAOYSA-N
MW402.49 g/mol
LogP5.42
Rot. Bonds7

About 3-[(3-methylphenyl)methoxy]-N-[4-(2-methylpropanoylamino)phenyl]benzamide

3-[(3-methylphenyl)methoxy]-N-[4-(2-methylpropanoylamino)phenyl]benzamide (PubChem CID 46517813) has the molecular formula C25H26N2O3 and a molecular weight of 402.49 g/mol. Its IUPAC name is 3-[(3-methylphenyl)methoxy]-N-[4-(2-methylpropanoylamino)phenyl]benzamide.

Molecular Properties

Compound Name3-[(3-methylphenyl)methoxy]-N-[4-(2-methylpropanoylamino)phenyl]benzamide
PubChem CID46517813
Molecular FormulaC25H26N2O3
Molecular Weight402.49 g/mol
Exact Mass402.19
IUPAC Name3-[(3-methylphenyl)methoxy]-N-[4-(2-methylpropanoylamino)phenyl]benzamide
SMILESCc1cccc(COc2cccc(C(=O)Nc3ccc(NC(=O)C(C)C)cc3)c2)c1
InChIInChI=1S/C25H26N2O3/c1-17(2)24(28)26-21-10-12-22(13-11-21)27-25(29)20-8-5-9-23(15-20)30-16-19-7-4-6-18(3)14-19/h4-15,17H,16H2,1-3H3,(H,26,28)(H,27,29)
InChIKeyUGJUMRIJZUSPSM-UHFFFAOYSA-N
XLogP5.42
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.49
LogP ≤ 55.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[3-[(3-methylphenyl)methoxy]benzoyl]amino]benzoic acid
CID 164625380
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N-[4-[(2-methylimidazol-1-yl)methyl]phenyl]-3-[(3-methylphenyl)methoxy]benzamide
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3-[[3-[(3-methylphenyl)methoxy]benzoyl]amino]butanoic acid
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N-[4-(methanesulfonamido)-3-methoxyphenyl]-3-[(3-methylphenyl)methoxy]benzamide
CID 37262028
N-[4-[(2R)-butan-2-yl]phenyl]-3-phenylmethoxybenzamide
CID 8778703
3-[(3,4-dichlorophenyl)methoxy]-N-(3-methylphenyl)benzamide
CID 8814570
N-(3-amino-2-methylpropyl)-3-[(3-methylphenyl)methoxy]benzamide;hydrochloride
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Frequently Asked Questions

What is the IUPAC name of 3-[(3-methylphenyl)methoxy]-N-[4-(2-methylpropanoylamino)phenyl]benzamide?
The IUPAC name of 3-[(3-methylphenyl)methoxy]-N-[4-(2-methylpropanoylamino)phenyl]benzamide (CID 46517813) is 3-[(3-methylphenyl)methoxy]-N-[4-(2-methylpropanoylamino)phenyl]benzamide.
What is the SMILES notation for 3-[(3-methylphenyl)methoxy]-N-[4-(2-methylpropanoylamino)phenyl]benzamide?
The canonical SMILES for 3-[(3-methylphenyl)methoxy]-N-[4-(2-methylpropanoylamino)phenyl]benzamide is Cc1cccc(COc2cccc(C(=O)Nc3ccc(NC(=O)C(C)C)cc3)c2)c1.
What is the InChIKey of 3-[(3-methylphenyl)methoxy]-N-[4-(2-methylpropanoylamino)phenyl]benzamide?
The InChIKey is UGJUMRIJZUSPSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N2O3/c1-17(2)24(28)26-21-10-12-22(13-11-21)27-25(29)20-8-5-9-23(15-20)30-16-19-7-4-6-18(3)14-19/h4-15,17H,16H2,1-3H3,(H,26,28)(H,27,29).
What are the key properties of 3-[(3-methylphenyl)methoxy]-N-[4-(2-methylpropanoylamino)phenyl]benzamide?
3-[(3-methylphenyl)methoxy]-N-[4-(2-methylpropanoylamino)phenyl]benzamide has a molecular weight of 402.49 g/mol, XLogP of 5.42, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-methylphenyl)methoxy]-N-[4-(2-methylpropanoylamino)phenyl]benzamide is sourced from PubChem (CID 46517813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).