N-benzyl-4-[[2-oxo-2-(3-phenylmethoxyanilino)ethyl]amino]benzamide

C29H27N3O3 — CID 54843886

IUPACN-benzyl-4-[[2-oxo-2-(3-phenylmethoxyanilino)ethyl]amino]benzamide
SMILESO=C(CNc1ccc(C(=O)NCc2ccccc2)cc1)Nc1cccc(OCc2ccccc2)c1
InChIInChI=1S/C29H27N3O3/c33-28(32-26-12-7-13-27(18-26)35-21-23-10-5-2-6-11-23)20-30-25-16-14-24(15-17-25)29(34)31-19-22-8-3-1-4-9-22/h1-18,30H,19-21H2,(H,31,34)(H,32,33)
InChIKeyARXBZKGSZUHVHH-UHFFFAOYSA-N
MW465.55 g/mol
LogP5.25
Rot. Bonds10

About N-benzyl-4-[[2-oxo-2-(3-phenylmethoxyanilino)ethyl]amino]benzamide

N-benzyl-4-[[2-oxo-2-(3-phenylmethoxyanilino)ethyl]amino]benzamide (PubChem CID 54843886) has the molecular formula C29H27N3O3 and a molecular weight of 465.55 g/mol. Its IUPAC name is N-benzyl-4-[[2-oxo-2-(3-phenylmethoxyanilino)ethyl]amino]benzamide.

Molecular Properties

Compound NameN-benzyl-4-[[2-oxo-2-(3-phenylmethoxyanilino)ethyl]amino]benzamide
PubChem CID54843886
Molecular FormulaC29H27N3O3
Molecular Weight465.55 g/mol
Exact Mass465.21
IUPAC NameN-benzyl-4-[[2-oxo-2-(3-phenylmethoxyanilino)ethyl]amino]benzamide
SMILESO=C(CNc1ccc(C(=O)NCc2ccccc2)cc1)Nc1cccc(OCc2ccccc2)c1
InChIInChI=1S/C29H27N3O3/c33-28(32-26-12-7-13-27(18-26)35-21-23-10-5-2-6-11-23)20-30-25-16-14-24(15-17-25)29(34)31-19-22-8-3-1-4-9-22/h1-18,30H,19-21H2,(H,31,34)(H,32,33)
InChIKeyARXBZKGSZUHVHH-UHFFFAOYSA-N
XLogP5.25
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500465.55
LogP ≤ 55.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-4-[[2-oxo-2-[3-(propanoylamino)anilino]ethyl]amino]benzamide
CID 54843743
N-ethyl-3-[[2-(3-phenylmethoxyanilino)acetyl]amino]benzamide
CID 54826232
N-benzyl-4-[[2-(3-butan-2-yloxyanilino)acetyl]amino]benzamide
CID 54829711
methyl 4-[[2-[3-(benzylcarbamoyl)anilino]-2-oxoethyl]amino]benzoate
CID 54817135
N-benzyl-4-[[2-(4-ethoxyanilino)acetyl]amino]benzamide
CID 54810964
N-[4-[[2-(3-phenylmethoxyanilino)acetyl]amino]phenyl]propanamide
CID 54826536
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-benzyl-3-[[2-(4-propan-2-yloxyanilino)acetyl]amino]benzamide
CID 54822226
N-benzyl-4-[[2-(3-bromoanilino)acetyl]amino]benzamide
CID 54840404
N-benzyl-4-[[2-(3,5-dichloroanilino)-2-oxoethyl]amino]benzamide
CID 54844035
N-benzyl-4-[[2-(naphthalen-2-ylamino)acetyl]amino]benzamide
CID 54839752

Frequently Asked Questions

What is the IUPAC name of N-benzyl-4-[[2-oxo-2-(3-phenylmethoxyanilino)ethyl]amino]benzamide?
The IUPAC name of N-benzyl-4-[[2-oxo-2-(3-phenylmethoxyanilino)ethyl]amino]benzamide (CID 54843886) is N-benzyl-4-[[2-oxo-2-(3-phenylmethoxyanilino)ethyl]amino]benzamide.
What is the SMILES notation for N-benzyl-4-[[2-oxo-2-(3-phenylmethoxyanilino)ethyl]amino]benzamide?
The canonical SMILES for N-benzyl-4-[[2-oxo-2-(3-phenylmethoxyanilino)ethyl]amino]benzamide is O=C(CNc1ccc(C(=O)NCc2ccccc2)cc1)Nc1cccc(OCc2ccccc2)c1.
What is the InChIKey of N-benzyl-4-[[2-oxo-2-(3-phenylmethoxyanilino)ethyl]amino]benzamide?
The InChIKey is ARXBZKGSZUHVHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H27N3O3/c33-28(32-26-12-7-13-27(18-26)35-21-23-10-5-2-6-11-23)20-30-25-16-14-24(15-17-25)29(34)31-19-22-8-3-1-4-9-22/h1-18,30H,19-21H2,(H,31,34)(H,32,33).
What are the key properties of N-benzyl-4-[[2-oxo-2-(3-phenylmethoxyanilino)ethyl]amino]benzamide?
N-benzyl-4-[[2-oxo-2-(3-phenylmethoxyanilino)ethyl]amino]benzamide has a molecular weight of 465.55 g/mol, XLogP of 5.25, 10 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-4-[[2-oxo-2-(3-phenylmethoxyanilino)ethyl]amino]benzamide is sourced from PubChem (CID 54843886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).