N-ethyl-3-[[2-(3-phenylmethoxyanilino)acetyl]amino]benzamide

C24H25N3O3 — CID 54826232

IUPACN-ethyl-3-[[2-(3-phenylmethoxyanilino)acetyl]amino]benzamide
SMILESCCNC(=O)c1cccc(NC(=O)CNc2cccc(OCc3ccccc3)c2)c1
InChIInChI=1S/C24H25N3O3/c1-2-25-24(29)19-10-6-12-21(14-19)27-23(28)16-26-20-11-7-13-22(15-20)30-17-18-8-4-3-5-9-18/h3-15,26H,2,16-17H2,1H3,(H,25,29)(H,27,28)
InChIKeyMANSTPATQXHPPM-UHFFFAOYSA-N
MW403.48 g/mol
LogP4.07
Rot. Bonds9

About N-ethyl-3-[[2-(3-phenylmethoxyanilino)acetyl]amino]benzamide

N-ethyl-3-[[2-(3-phenylmethoxyanilino)acetyl]amino]benzamide (PubChem CID 54826232) has the molecular formula C24H25N3O3 and a molecular weight of 403.48 g/mol. Its IUPAC name is N-ethyl-3-[[2-(3-phenylmethoxyanilino)acetyl]amino]benzamide.

Molecular Properties

Compound NameN-ethyl-3-[[2-(3-phenylmethoxyanilino)acetyl]amino]benzamide
PubChem CID54826232
Molecular FormulaC24H25N3O3
Molecular Weight403.48 g/mol
Exact Mass403.19
IUPAC NameN-ethyl-3-[[2-(3-phenylmethoxyanilino)acetyl]amino]benzamide
SMILESCCNC(=O)c1cccc(NC(=O)CNc2cccc(OCc3ccccc3)c2)c1
InChIInChI=1S/C24H25N3O3/c1-2-25-24(29)19-10-6-12-21(14-19)27-23(28)16-26-20-11-7-13-22(15-20)30-17-18-8-4-3-5-9-18/h3-15,26H,2,16-17H2,1H3,(H,25,29)(H,27,28)
InChIKeyMANSTPATQXHPPM-UHFFFAOYSA-N
XLogP4.07
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.48
LogP ≤ 54.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-3-[[2-(3-propoxyanilino)acetyl]amino]benzamide
CID 36861007
N-ethyl-2-(3-phenylmethoxyanilino)acetamide
CID 54826259
3-[[2-(3-phenylmethoxyanilino)acetyl]amino]-N,N-dipropylbenzamide
CID 54826503
N-[4-[[2-(3-phenylmethoxyanilino)acetyl]amino]phenyl]propanamide
CID 54826536
N-benzyl-4-[[2-oxo-2-(3-phenylmethoxyanilino)ethyl]amino]benzamide
CID 54843886
N-benzyl-3-[[2-(3-heptoxyanilino)-2-oxoethyl]amino]benzamide
CID 54842997
N-benzyl-3-[[2-[3-(2-ethoxyethoxy)anilino]acetyl]amino]benzamide
CID 54827557
N-(2-methoxyethyl)-3-[[2-oxo-2-[3-(2-phenylethoxy)anilino]ethyl]amino]benzamide
CID 54836267
N-butyl-3-[[2-oxo-2-[3-(2-phenoxyethoxy)anilino]ethyl]amino]benzamide
CID 54834119
N-(2-methoxyethyl)-3-[[2-oxo-2-[3-(3-phenylpropoxy)anilino]ethyl]amino]benzamide
CID 54836169
3-[[2-(4-ethoxyanilino)acetyl]amino]-N-ethylbenzamide
CID 54811015
N-methyl-3-[[2-oxo-2-[3-(2-phenylethoxy)anilino]ethyl]amino]benzamide
CID 54839558

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-[[2-(3-phenylmethoxyanilino)acetyl]amino]benzamide?
The IUPAC name of N-ethyl-3-[[2-(3-phenylmethoxyanilino)acetyl]amino]benzamide (CID 54826232) is N-ethyl-3-[[2-(3-phenylmethoxyanilino)acetyl]amino]benzamide.
What is the SMILES notation for N-ethyl-3-[[2-(3-phenylmethoxyanilino)acetyl]amino]benzamide?
The canonical SMILES for N-ethyl-3-[[2-(3-phenylmethoxyanilino)acetyl]amino]benzamide is CCNC(=O)c1cccc(NC(=O)CNc2cccc(OCc3ccccc3)c2)c1.
What is the InChIKey of N-ethyl-3-[[2-(3-phenylmethoxyanilino)acetyl]amino]benzamide?
The InChIKey is MANSTPATQXHPPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O3/c1-2-25-24(29)19-10-6-12-21(14-19)27-23(28)16-26-20-11-7-13-22(15-20)30-17-18-8-4-3-5-9-18/h3-15,26H,2,16-17H2,1H3,(H,25,29)(H,27,28).
What are the key properties of N-ethyl-3-[[2-(3-phenylmethoxyanilino)acetyl]amino]benzamide?
N-ethyl-3-[[2-(3-phenylmethoxyanilino)acetyl]amino]benzamide has a molecular weight of 403.48 g/mol, XLogP of 4.07, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-[[2-(3-phenylmethoxyanilino)acetyl]amino]benzamide is sourced from PubChem (CID 54826232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).