N-benzyl-3-[2-(4-butylanilino)-2-oxoethoxy]benzamide

C26H28N2O3 — CID 7492302

IUPACN-benzyl-3-[2-(4-butylanilino)-2-oxoethoxy]benzamide
SMILESCCCCc1ccc(NC(=O)COc2cccc(C(=O)NCc3ccccc3)c2)cc1
InChIInChI=1S/C26H28N2O3/c1-2-3-8-20-13-15-23(16-14-20)28-25(29)19-31-24-12-7-11-22(17-24)26(30)27-18-21-9-5-4-6-10-21/h4-7,9-17H,2-3,8,18-19H2,1H3,(H,27,30)(H,28,29)
InChIKeyUODMNPCWBXBOIM-UHFFFAOYSA-N
MW416.52 g/mol
LogP4.98
Rot. Bonds10

About N-benzyl-3-[2-(4-butylanilino)-2-oxoethoxy]benzamide

N-benzyl-3-[2-(4-butylanilino)-2-oxoethoxy]benzamide (PubChem CID 7492302) has the molecular formula C26H28N2O3 and a molecular weight of 416.52 g/mol. Its IUPAC name is N-benzyl-3-[2-(4-butylanilino)-2-oxoethoxy]benzamide.

Molecular Properties

Compound NameN-benzyl-3-[2-(4-butylanilino)-2-oxoethoxy]benzamide
PubChem CID7492302
Molecular FormulaC26H28N2O3
Molecular Weight416.52 g/mol
Exact Mass416.21
IUPAC NameN-benzyl-3-[2-(4-butylanilino)-2-oxoethoxy]benzamide
SMILESCCCCc1ccc(NC(=O)COc2cccc(C(=O)NCc3ccccc3)c2)cc1
InChIInChI=1S/C26H28N2O3/c1-2-3-8-20-13-15-23(16-14-20)28-25(29)19-31-24-12-7-11-22(17-24)26(30)27-18-21-9-5-4-6-10-21/h4-7,9-17H,2-3,8,18-19H2,1H3,(H,27,30)(H,28,29)
InChIKeyUODMNPCWBXBOIM-UHFFFAOYSA-N
XLogP4.98
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.52
LogP ≤ 54.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-3-[2-(4-cyanoanilino)-2-oxoethoxy]benzamide
CID 9253189
2-(3-bromophenoxy)-N-(4-butylphenyl)acetamide
CID 19171423
N-benzyl-3-[2-(3-chloro-4-fluoroanilino)-2-oxoethoxy]benzamide
CID 7492272
N-benzyl-3-[2-[2-(4-fluorophenyl)ethylamino]-2-oxoethoxy]benzamide
CID 9253229
N-benzyl-3-[2-oxo-2-[[(2S)-4-phenylbutan-2-yl]amino]ethoxy]benzamide
CID 7590033
N-benzyl-3-[2-[[(2R)-butan-2-yl]amino]-2-oxoethoxy]benzamide
CID 9253278
N-benzyl-3-[2-[[(2S)-butan-2-yl]amino]-2-oxoethoxy]benzamide
CID 9253281
N-benzyl-3-[2-(2,5-dimethylanilino)-2-oxoethoxy]benzamide
CID 9253155
N-(4-pentylphenyl)-2-[(2-phenoxyacetyl)amino]acetamide
CID 26776941
N-benzyl-3-[[2-(4-phenylphenoxy)acetyl]amino]benzamide
CID 28638866
N-benzyl-4-[[2-(4-methylphenoxy)acetyl]amino]benzamide
CID 28639871
N-[4-(butanoylamino)phenyl]-3-(2-phenylethoxy)benzamide
CID 17202577

Frequently Asked Questions

What is the IUPAC name of N-benzyl-3-[2-(4-butylanilino)-2-oxoethoxy]benzamide?
The IUPAC name of N-benzyl-3-[2-(4-butylanilino)-2-oxoethoxy]benzamide (CID 7492302) is N-benzyl-3-[2-(4-butylanilino)-2-oxoethoxy]benzamide.
What is the SMILES notation for N-benzyl-3-[2-(4-butylanilino)-2-oxoethoxy]benzamide?
The canonical SMILES for N-benzyl-3-[2-(4-butylanilino)-2-oxoethoxy]benzamide is CCCCc1ccc(NC(=O)COc2cccc(C(=O)NCc3ccccc3)c2)cc1.
What is the InChIKey of N-benzyl-3-[2-(4-butylanilino)-2-oxoethoxy]benzamide?
The InChIKey is UODMNPCWBXBOIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N2O3/c1-2-3-8-20-13-15-23(16-14-20)28-25(29)19-31-24-12-7-11-22(17-24)26(30)27-18-21-9-5-4-6-10-21/h4-7,9-17H,2-3,8,18-19H2,1H3,(H,27,30)(H,28,29).
What are the key properties of N-benzyl-3-[2-(4-butylanilino)-2-oxoethoxy]benzamide?
N-benzyl-3-[2-(4-butylanilino)-2-oxoethoxy]benzamide has a molecular weight of 416.52 g/mol, XLogP of 4.98, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-3-[2-(4-butylanilino)-2-oxoethoxy]benzamide is sourced from PubChem (CID 7492302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).