N-(4-ethoxyphenyl)-4-[3-[(2-phenylacetyl)amino]propanoylamino]benzamide

C26H27N3O4 — CID 55486447

IUPACN-(4-ethoxyphenyl)-4-[3-[(2-phenylacetyl)amino]propanoylamino]benzamide
SMILESCCOc1ccc(NC(=O)c2ccc(NC(=O)CCNC(=O)Cc3ccccc3)cc2)cc1
InChIInChI=1S/C26H27N3O4/c1-2-33-23-14-12-22(13-15-23)29-26(32)20-8-10-21(11-9-20)28-24(30)16-17-27-25(31)18-19-6-4-3-5-7-19/h3-15H,2,16-18H2,1H3,(H,27,31)(H,28,30)(H,29,32)
InChIKeyGDILXDPWQCMGEK-UHFFFAOYSA-N
MW445.52 g/mol
LogP4.03
Rot. Bonds10

About N-(4-ethoxyphenyl)-4-[3-[(2-phenylacetyl)amino]propanoylamino]benzamide

N-(4-ethoxyphenyl)-4-[3-[(2-phenylacetyl)amino]propanoylamino]benzamide (PubChem CID 55486447) has the molecular formula C26H27N3O4 and a molecular weight of 445.52 g/mol. Its IUPAC name is N-(4-ethoxyphenyl)-4-[3-[(2-phenylacetyl)amino]propanoylamino]benzamide.

Molecular Properties

Compound NameN-(4-ethoxyphenyl)-4-[3-[(2-phenylacetyl)amino]propanoylamino]benzamide
PubChem CID55486447
Molecular FormulaC26H27N3O4
Molecular Weight445.52 g/mol
Exact Mass445.20
IUPAC NameN-(4-ethoxyphenyl)-4-[3-[(2-phenylacetyl)amino]propanoylamino]benzamide
SMILESCCOc1ccc(NC(=O)c2ccc(NC(=O)CCNC(=O)Cc3ccccc3)cc2)cc1
InChIInChI=1S/C26H27N3O4/c1-2-33-23-14-12-22(13-15-23)29-26(32)20-8-10-21(11-9-20)28-24(30)16-17-27-25(31)18-19-6-4-3-5-7-19/h3-15H,2,16-18H2,1H3,(H,27,31)(H,28,30)(H,29,32)
InChIKeyGDILXDPWQCMGEK-UHFFFAOYSA-N
XLogP4.03
TPSA96.53 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.52
LogP ≤ 54.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-N-benzyl-4-N-(4-ethoxyphenyl)benzene-1,4-dicarboxamide
CID 109046738
N-[3-(4-ethoxyanilino)-3-oxopropyl]-4-methoxybenzamide
CID 46755855
N-(4-ethoxyphenyl)-4-(2-phenoxyethoxy)benzamide
CID 4952680
4-(3-benzamidopropanoylamino)-N-(4-methoxyphenyl)benzamide
CID 8884300
N-[4-(3-phenylpropanoylamino)phenyl]-4-propoxybenzamide
CID 17233570
2-[[4-[[2-(4-ethoxyphenyl)acetyl]amino]benzoyl]amino]acetic acid
CID 45434962
N-(4-ethoxyphenyl)-4-[(2-hydroxyacetyl)amino]benzamide
CID 8006880
N-benzyl-4-[[2-(4-ethoxyanilino)acetyl]amino]benzamide
CID 54810964
N-(4-ethoxyphenyl)-4-[3-(4-fluorophenyl)propanoylamino]benzamide
CID 18279791
[4-(phenylcarbamoyl)phenyl]methyl 2-(4-ethoxyphenyl)acetate
CID 18226760
N-[4-(2-methoxyphenoxy)phenyl]-3-[(2-phenylacetyl)amino]propanamide
CID 18139288
N-(4-ethoxyphenyl)-4-[3-(2-oxo-1-pyridinyl)propanoylamino]benzamide
CID 78862361

Frequently Asked Questions

What is the IUPAC name of N-(4-ethoxyphenyl)-4-[3-[(2-phenylacetyl)amino]propanoylamino]benzamide?
The IUPAC name of N-(4-ethoxyphenyl)-4-[3-[(2-phenylacetyl)amino]propanoylamino]benzamide (CID 55486447) is N-(4-ethoxyphenyl)-4-[3-[(2-phenylacetyl)amino]propanoylamino]benzamide.
What is the SMILES notation for N-(4-ethoxyphenyl)-4-[3-[(2-phenylacetyl)amino]propanoylamino]benzamide?
The canonical SMILES for N-(4-ethoxyphenyl)-4-[3-[(2-phenylacetyl)amino]propanoylamino]benzamide is CCOc1ccc(NC(=O)c2ccc(NC(=O)CCNC(=O)Cc3ccccc3)cc2)cc1.
What is the InChIKey of N-(4-ethoxyphenyl)-4-[3-[(2-phenylacetyl)amino]propanoylamino]benzamide?
The InChIKey is GDILXDPWQCMGEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N3O4/c1-2-33-23-14-12-22(13-15-23)29-26(32)20-8-10-21(11-9-20)28-24(30)16-17-27-25(31)18-19-6-4-3-5-7-19/h3-15H,2,16-18H2,1H3,(H,27,31)(H,28,30)(H,29,32).
What are the key properties of N-(4-ethoxyphenyl)-4-[3-[(2-phenylacetyl)amino]propanoylamino]benzamide?
N-(4-ethoxyphenyl)-4-[3-[(2-phenylacetyl)amino]propanoylamino]benzamide has a molecular weight of 445.52 g/mol, XLogP of 4.03, 10 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethoxyphenyl)-4-[3-[(2-phenylacetyl)amino]propanoylamino]benzamide is sourced from PubChem (CID 55486447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).