2-(2-methylpropoxy)-N-[3-[(2-phenylacetyl)amino]phenyl]benzamide

C25H26N2O3 — CID 17235611

IUPAC2-(2-methylpropoxy)-N-[3-[(2-phenylacetyl)amino]phenyl]benzamide
SMILESCC(C)COc1ccccc1C(=O)Nc1cccc(NC(=O)Cc2ccccc2)c1
InChIInChI=1S/C25H26N2O3/c1-18(2)17-30-23-14-7-6-13-22(23)25(29)27-21-12-8-11-20(16-21)26-24(28)15-19-9-4-3-5-10-19/h3-14,16,18H,15,17H2,1-2H3,(H,26,28)(H,27,29)
InChIKeyOPLOZNPXRLHEAQ-UHFFFAOYSA-N
MW402.49 g/mol
LogP5.15
Rot. Bonds8

About 2-(2-methylpropoxy)-N-[3-[(2-phenylacetyl)amino]phenyl]benzamide

2-(2-methylpropoxy)-N-[3-[(2-phenylacetyl)amino]phenyl]benzamide (PubChem CID 17235611) has the molecular formula C25H26N2O3 and a molecular weight of 402.49 g/mol. Its IUPAC name is 2-(2-methylpropoxy)-N-[3-[(2-phenylacetyl)amino]phenyl]benzamide.

Molecular Properties

Compound Name2-(2-methylpropoxy)-N-[3-[(2-phenylacetyl)amino]phenyl]benzamide
PubChem CID17235611
Molecular FormulaC25H26N2O3
Molecular Weight402.49 g/mol
Exact Mass402.19
IUPAC Name2-(2-methylpropoxy)-N-[3-[(2-phenylacetyl)amino]phenyl]benzamide
SMILESCC(C)COc1ccccc1C(=O)Nc1cccc(NC(=O)Cc2ccccc2)c1
InChIInChI=1S/C25H26N2O3/c1-18(2)17-30-23-14-7-6-13-22(23)25(29)27-21-12-8-11-20(16-21)26-24(28)15-19-9-4-3-5-10-19/h3-14,16,18H,15,17H2,1-2H3,(H,26,28)(H,27,29)
InChIKeyOPLOZNPXRLHEAQ-UHFFFAOYSA-N
XLogP5.15
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.49
LogP ≤ 55.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-(butanoylamino)phenyl]-2-(2-methylpropoxy)benzamide
CID 17187605
N-(3-fluorophenyl)-2-(2-methylpropoxy)benzamide
CID 54788403
2-(2-methylpropoxy)-N-[4-(3-phenylpropanoylamino)phenyl]benzamide
CID 17233576
N-[3-[(3-methylbenzoyl)amino]phenyl]-2-(2-methylpropoxy)benzamide
CID 50985810
2-(2-methylpropoxy)-N-(3-propoxyphenyl)benzamide
CID 17096753
N-(3,5-dimethylphenyl)-2-(2-methylpropoxy)benzamide
CID 4945346
2-phenyl-N-(3-propan-2-yloxyphenyl)acetamide
CID 6458056
2-(2-methylpropoxy)-N-[(3-phenylmethoxyphenyl)carbamothioyl]benzamide
CID 17086217
3-bromo-4-(2-methylpropoxy)-N-[[3-[(2-phenylacetyl)amino]phenyl]carbamothioyl]benzamide
CID 17235888
2-methoxy-N-[[3-[(2-phenylacetyl)amino]phenyl]carbamothioyl]benzamide
CID 17235835
2-(2-phenylethoxy)-N-(3-propan-2-yloxyphenyl)benzamide
CID 17154818
N-(3-chloro-4-methoxyphenyl)-2-(2-methylpropoxy)benzamide
CID 4945530

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylpropoxy)-N-[3-[(2-phenylacetyl)amino]phenyl]benzamide?
The IUPAC name of 2-(2-methylpropoxy)-N-[3-[(2-phenylacetyl)amino]phenyl]benzamide (CID 17235611) is 2-(2-methylpropoxy)-N-[3-[(2-phenylacetyl)amino]phenyl]benzamide.
What is the SMILES notation for 2-(2-methylpropoxy)-N-[3-[(2-phenylacetyl)amino]phenyl]benzamide?
The canonical SMILES for 2-(2-methylpropoxy)-N-[3-[(2-phenylacetyl)amino]phenyl]benzamide is CC(C)COc1ccccc1C(=O)Nc1cccc(NC(=O)Cc2ccccc2)c1.
What is the InChIKey of 2-(2-methylpropoxy)-N-[3-[(2-phenylacetyl)amino]phenyl]benzamide?
The InChIKey is OPLOZNPXRLHEAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N2O3/c1-18(2)17-30-23-14-7-6-13-22(23)25(29)27-21-12-8-11-20(16-21)26-24(28)15-19-9-4-3-5-10-19/h3-14,16,18H,15,17H2,1-2H3,(H,26,28)(H,27,29).
What are the key properties of 2-(2-methylpropoxy)-N-[3-[(2-phenylacetyl)amino]phenyl]benzamide?
2-(2-methylpropoxy)-N-[3-[(2-phenylacetyl)amino]phenyl]benzamide has a molecular weight of 402.49 g/mol, XLogP of 5.15, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylpropoxy)-N-[3-[(2-phenylacetyl)amino]phenyl]benzamide is sourced from PubChem (CID 17235611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).