4-(3-methylbutoxy)-N-[3-[(2-phenylacetyl)amino]phenyl]benzamide

C26H28N2O3 — CID 17235614

IUPAC4-(3-methylbutoxy)-N-[3-[(2-phenylacetyl)amino]phenyl]benzamide
SMILESCC(C)CCOc1ccc(C(=O)Nc2cccc(NC(=O)Cc3ccccc3)c2)cc1
InChIInChI=1S/C26H28N2O3/c1-19(2)15-16-31-24-13-11-21(12-14-24)26(30)28-23-10-6-9-22(18-23)27-25(29)17-20-7-4-3-5-8-20/h3-14,18-19H,15-17H2,1-2H3,(H,27,29)(H,28,30)
InChIKeyILHHRHDFQRAMDM-UHFFFAOYSA-N
MW416.52 g/mol
LogP5.55
Rot. Bonds9

About 4-(3-methylbutoxy)-N-[3-[(2-phenylacetyl)amino]phenyl]benzamide

4-(3-methylbutoxy)-N-[3-[(2-phenylacetyl)amino]phenyl]benzamide (PubChem CID 17235614) has the molecular formula C26H28N2O3 and a molecular weight of 416.52 g/mol. Its IUPAC name is 4-(3-methylbutoxy)-N-[3-[(2-phenylacetyl)amino]phenyl]benzamide.

Molecular Properties

Compound Name4-(3-methylbutoxy)-N-[3-[(2-phenylacetyl)amino]phenyl]benzamide
PubChem CID17235614
Molecular FormulaC26H28N2O3
Molecular Weight416.52 g/mol
Exact Mass416.21
IUPAC Name4-(3-methylbutoxy)-N-[3-[(2-phenylacetyl)amino]phenyl]benzamide
SMILESCC(C)CCOc1ccc(C(=O)Nc2cccc(NC(=O)Cc3ccccc3)c2)cc1
InChIInChI=1S/C26H28N2O3/c1-19(2)15-16-31-24-13-11-21(12-14-24)26(30)28-23-10-6-9-22(18-23)27-25(29)17-20-7-4-3-5-8-20/h3-14,18-19H,15-17H2,1-2H3,(H,27,29)(H,28,30)
InChIKeyILHHRHDFQRAMDM-UHFFFAOYSA-N
XLogP5.55
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.52
LogP ≤ 55.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-[[2-[4-(3-methylbutoxy)anilino]acetyl]amino]phenyl]benzamide
CID 54821922
N-(4-anilinophenyl)-4-(3-methylbutoxy)benzamide
CID 4948110
4-ethoxy-N-[3-(3-methylbutoxy)phenyl]benzamide
CID 17097294
3-(2-phenoxyethoxy)-N-[3-[(2-phenylacetyl)amino]phenyl]benzamide
CID 17235625
4-(2-phenoxyethoxy)-N-[3-(propanoylamino)phenyl]benzamide
CID 17188307
N-[3-(3-methylbutoxy)phenyl]-3-(2-phenylethoxy)benzamide
CID 17134436
N-[3-(3-phenylpropanoylamino)phenyl]-4-propoxybenzamide
CID 17222902
N-(3-acetamidophenyl)-4-[(2-phenylacetyl)amino]benzamide
CID 17119477
4-(2-methylpropoxy)-N-[3-(2-phenoxyethoxy)phenyl]benzamide
CID 17123566
3-(3-methylbutoxy)-N-[4-(2-phenoxyethoxy)phenyl]benzamide
CID 4981775
4-(aminomethyl)-N-[4-(3-methylbutoxy)phenyl]benzamide
CID 119331702
N-[[3-[(2-phenylacetyl)amino]phenyl]carbamothioyl]-4-propan-2-yloxybenzamide
CID 17235868

Frequently Asked Questions

What is the IUPAC name of 4-(3-methylbutoxy)-N-[3-[(2-phenylacetyl)amino]phenyl]benzamide?
The IUPAC name of 4-(3-methylbutoxy)-N-[3-[(2-phenylacetyl)amino]phenyl]benzamide (CID 17235614) is 4-(3-methylbutoxy)-N-[3-[(2-phenylacetyl)amino]phenyl]benzamide.
What is the SMILES notation for 4-(3-methylbutoxy)-N-[3-[(2-phenylacetyl)amino]phenyl]benzamide?
The canonical SMILES for 4-(3-methylbutoxy)-N-[3-[(2-phenylacetyl)amino]phenyl]benzamide is CC(C)CCOc1ccc(C(=O)Nc2cccc(NC(=O)Cc3ccccc3)c2)cc1.
What is the InChIKey of 4-(3-methylbutoxy)-N-[3-[(2-phenylacetyl)amino]phenyl]benzamide?
The InChIKey is ILHHRHDFQRAMDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N2O3/c1-19(2)15-16-31-24-13-11-21(12-14-24)26(30)28-23-10-6-9-22(18-23)27-25(29)17-20-7-4-3-5-8-20/h3-14,18-19H,15-17H2,1-2H3,(H,27,29)(H,28,30).
What are the key properties of 4-(3-methylbutoxy)-N-[3-[(2-phenylacetyl)amino]phenyl]benzamide?
4-(3-methylbutoxy)-N-[3-[(2-phenylacetyl)amino]phenyl]benzamide has a molecular weight of 416.52 g/mol, XLogP of 5.55, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methylbutoxy)-N-[3-[(2-phenylacetyl)amino]phenyl]benzamide is sourced from PubChem (CID 17235614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).