N-ethyl-4-[[2-[4-(2-phenylethoxy)anilino]acetyl]amino]benzamide

C25H27N3O3 — CID 54823874

IUPACN-ethyl-4-[[2-[4-(2-phenylethoxy)anilino]acetyl]amino]benzamide
SMILESCCNC(=O)c1ccc(NC(=O)CNc2ccc(OCCc3ccccc3)cc2)cc1
InChIInChI=1S/C25H27N3O3/c1-2-26-25(30)20-8-10-22(11-9-20)28-24(29)18-27-21-12-14-23(15-13-21)31-17-16-19-6-4-3-5-7-19/h3-15,27H,2,16-18H2,1H3,(H,26,30)(H,28,29)
InChIKeyOTXQSBYOWVRYBF-UHFFFAOYSA-N
MW417.51 g/mol
LogP4.11
Rot. Bonds10

About N-ethyl-4-[[2-[4-(2-phenylethoxy)anilino]acetyl]amino]benzamide

N-ethyl-4-[[2-[4-(2-phenylethoxy)anilino]acetyl]amino]benzamide (PubChem CID 54823874) has the molecular formula C25H27N3O3 and a molecular weight of 417.51 g/mol. Its IUPAC name is N-ethyl-4-[[2-[4-(2-phenylethoxy)anilino]acetyl]amino]benzamide.

Molecular Properties

Compound NameN-ethyl-4-[[2-[4-(2-phenylethoxy)anilino]acetyl]amino]benzamide
PubChem CID54823874
Molecular FormulaC25H27N3O3
Molecular Weight417.51 g/mol
Exact Mass417.21
IUPAC NameN-ethyl-4-[[2-[4-(2-phenylethoxy)anilino]acetyl]amino]benzamide
SMILESCCNC(=O)c1ccc(NC(=O)CNc2ccc(OCCc3ccccc3)cc2)cc1
InChIInChI=1S/C25H27N3O3/c1-2-26-25(30)20-8-10-22(11-9-20)28-24(29)18-27-21-12-14-23(15-13-21)31-17-16-19-6-4-3-5-7-19/h3-15,27H,2,16-18H2,1H3,(H,26,30)(H,28,29)
InChIKeyOTXQSBYOWVRYBF-UHFFFAOYSA-N
XLogP4.11
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.51
LogP ≤ 54.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

4-[[2-oxo-2-[4-(2-phenylethoxy)anilino]ethyl]amino]-N-propylbenzamide
CID 54836155
N-ethyl-4-[[2-oxo-2-[4-(2-phenoxyethoxy)anilino]ethyl]amino]benzamide
CID 54839113
2-[4-(2-methoxyethoxy)anilino]-N-[4-(2-phenylethoxy)phenyl]acetamide
CID 54822166
N-ethyl-4-[[2-[4-(3-phenylpropanoylamino)anilino]acetyl]amino]benzamide
CID 54839192
2-(4-ethoxyanilino)-N-[4-(2-phenylethoxy)phenyl]acetamide
CID 54811684
N-butan-2-yl-4-[[2-[4-(2-phenylethoxy)anilino]acetyl]amino]benzamide
CID 54823938
N-butyl-4-[[2-[4-(3-phenylpropoxy)anilino]acetyl]amino]benzamide
CID 54825518
N-(4-methylphenyl)-2-[4-(2-phenylethoxy)anilino]acetamide
CID 54824064
N-benzyl-4-[[2-(4-ethoxyanilino)acetyl]amino]benzamide
CID 54810964
N-[4-(2-phenylethoxy)phenyl]-2-(4-propan-2-yloxyanilino)acetamide
CID 54822610
3-methyl-N-[4-[[2-[4-(2-phenylethoxy)anilino]acetyl]amino]phenyl]butanamide
CID 54823706
N-ethyl-4-[[2-[4-(ethylcarbamoyl)anilino]-2-oxoethyl]amino]benzamide
CID 54839505

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-[[2-[4-(2-phenylethoxy)anilino]acetyl]amino]benzamide?
The IUPAC name of N-ethyl-4-[[2-[4-(2-phenylethoxy)anilino]acetyl]amino]benzamide (CID 54823874) is N-ethyl-4-[[2-[4-(2-phenylethoxy)anilino]acetyl]amino]benzamide.
What is the SMILES notation for N-ethyl-4-[[2-[4-(2-phenylethoxy)anilino]acetyl]amino]benzamide?
The canonical SMILES for N-ethyl-4-[[2-[4-(2-phenylethoxy)anilino]acetyl]amino]benzamide is CCNC(=O)c1ccc(NC(=O)CNc2ccc(OCCc3ccccc3)cc2)cc1.
What is the InChIKey of N-ethyl-4-[[2-[4-(2-phenylethoxy)anilino]acetyl]amino]benzamide?
The InChIKey is OTXQSBYOWVRYBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N3O3/c1-2-26-25(30)20-8-10-22(11-9-20)28-24(29)18-27-21-12-14-23(15-13-21)31-17-16-19-6-4-3-5-7-19/h3-15,27H,2,16-18H2,1H3,(H,26,30)(H,28,29).
What are the key properties of N-ethyl-4-[[2-[4-(2-phenylethoxy)anilino]acetyl]amino]benzamide?
N-ethyl-4-[[2-[4-(2-phenylethoxy)anilino]acetyl]amino]benzamide has a molecular weight of 417.51 g/mol, XLogP of 4.11, 10 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-[[2-[4-(2-phenylethoxy)anilino]acetyl]amino]benzamide is sourced from PubChem (CID 54823874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).