N-benzyl-3-[[2-(4-propan-2-yloxyanilino)acetyl]amino]benzamide

C25H27N3O3 — CID 54822226

IUPACN-benzyl-3-[[2-(4-propan-2-yloxyanilino)acetyl]amino]benzamide
SMILESCC(C)Oc1ccc(NCC(=O)Nc2cccc(C(=O)NCc3ccccc3)c2)cc1
InChIInChI=1S/C25H27N3O3/c1-18(2)31-23-13-11-21(12-14-23)26-17-24(29)28-22-10-6-9-20(15-22)25(30)27-16-19-7-4-3-5-8-19/h3-15,18,26H,16-17H2,1-2H3,(H,27,30)(H,28,29)
InChIKeyFAGCALMFEIKUPR-UHFFFAOYSA-N
MW417.51 g/mol
LogP4.45
Rot. Bonds9

About N-benzyl-3-[[2-(4-propan-2-yloxyanilino)acetyl]amino]benzamide

N-benzyl-3-[[2-(4-propan-2-yloxyanilino)acetyl]amino]benzamide (PubChem CID 54822226) has the molecular formula C25H27N3O3 and a molecular weight of 417.51 g/mol. Its IUPAC name is N-benzyl-3-[[2-(4-propan-2-yloxyanilino)acetyl]amino]benzamide.

Molecular Properties

Compound NameN-benzyl-3-[[2-(4-propan-2-yloxyanilino)acetyl]amino]benzamide
PubChem CID54822226
Molecular FormulaC25H27N3O3
Molecular Weight417.51 g/mol
Exact Mass417.21
IUPAC NameN-benzyl-3-[[2-(4-propan-2-yloxyanilino)acetyl]amino]benzamide
SMILESCC(C)Oc1ccc(NCC(=O)Nc2cccc(C(=O)NCc3ccccc3)c2)cc1
InChIInChI=1S/C25H27N3O3/c1-18(2)31-23-13-11-21(12-14-23)26-17-24(29)28-22-10-6-9-20(15-22)25(30)27-16-19-7-4-3-5-8-19/h3-15,18,26H,16-17H2,1-2H3,(H,27,30)(H,28,29)
InChIKeyFAGCALMFEIKUPR-UHFFFAOYSA-N
XLogP4.45
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.51
LogP ≤ 54.45
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

methyl 4-[[2-[3-(benzylcarbamoyl)anilino]-2-oxoethyl]amino]benzoate
CID 54817135
N-benzyl-3-[[2-oxo-2-[4-(propanoylamino)anilino]ethyl]amino]benzamide
CID 54844304
3-[[2-[3-(benzylcarbamoyl)anilino]-2-oxoethyl]amino]-N-butan-2-ylbenzamide
CID 54834929
N-benzyl-N-methyl-3-[[2-oxo-2-(4-propan-2-yloxyanilino)ethyl]amino]benzamide
CID 54841824
1-N-benzyl-4-N-(4-propan-2-yloxyphenyl)benzene-1,4-dicarboxamide
CID 109046741
N-(3-methoxypropyl)-3-[[2-oxo-2-(4-propan-2-yloxyanilino)ethyl]amino]benzamide
CID 54842246
N-benzyl-3-[[2-[3-(2-ethoxyethoxy)anilino]acetyl]amino]benzamide
CID 54827557
N-benzyl-4-[[2-oxo-2-[3-(propanoylamino)anilino]ethyl]amino]benzamide
CID 54843743
3-methyl-N-[4-[[2-(4-propan-2-yloxyanilino)acetyl]amino]phenyl]benzamide
CID 54822485
N-benzyl-4-[[2-(3-butan-2-yloxyanilino)acetyl]amino]benzamide
CID 54829711
N-benzyl-3-[[2-[3-(butylcarbamoyl)anilino]-2-oxoethyl]amino]benzamide
CID 54844588
3-[[2-[4-(difluoromethoxy)anilino]acetyl]amino]-N-ethylbenzamide
CID 34067115

Frequently Asked Questions

What is the IUPAC name of N-benzyl-3-[[2-(4-propan-2-yloxyanilino)acetyl]amino]benzamide?
The IUPAC name of N-benzyl-3-[[2-(4-propan-2-yloxyanilino)acetyl]amino]benzamide (CID 54822226) is N-benzyl-3-[[2-(4-propan-2-yloxyanilino)acetyl]amino]benzamide.
What is the SMILES notation for N-benzyl-3-[[2-(4-propan-2-yloxyanilino)acetyl]amino]benzamide?
The canonical SMILES for N-benzyl-3-[[2-(4-propan-2-yloxyanilino)acetyl]amino]benzamide is CC(C)Oc1ccc(NCC(=O)Nc2cccc(C(=O)NCc3ccccc3)c2)cc1.
What is the InChIKey of N-benzyl-3-[[2-(4-propan-2-yloxyanilino)acetyl]amino]benzamide?
The InChIKey is FAGCALMFEIKUPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N3O3/c1-18(2)31-23-13-11-21(12-14-23)26-17-24(29)28-22-10-6-9-20(15-22)25(30)27-16-19-7-4-3-5-8-19/h3-15,18,26H,16-17H2,1-2H3,(H,27,30)(H,28,29).
What are the key properties of N-benzyl-3-[[2-(4-propan-2-yloxyanilino)acetyl]amino]benzamide?
N-benzyl-3-[[2-(4-propan-2-yloxyanilino)acetyl]amino]benzamide has a molecular weight of 417.51 g/mol, XLogP of 4.45, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-3-[[2-(4-propan-2-yloxyanilino)acetyl]amino]benzamide is sourced from PubChem (CID 54822226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).