N-[4-[[2-(4-phenylmethoxyanilino)acetyl]amino]phenyl]butanamide

C25H27N3O3 — CID 54821938

IUPACN-[4-[[2-(4-phenylmethoxyanilino)acetyl]amino]phenyl]butanamide
SMILESCCCC(=O)Nc1ccc(NC(=O)CNc2ccc(OCc3ccccc3)cc2)cc1
InChIInChI=1S/C25H27N3O3/c1-2-6-24(29)27-21-9-11-22(12-10-21)28-25(30)17-26-20-13-15-23(16-14-20)31-18-19-7-4-3-5-8-19/h3-5,7-16,26H,2,6,17-18H2,1H3,(H,27,29)(H,28,30)
InChIKeyXARUKDGCJXBWKL-UHFFFAOYSA-N
MW417.51 g/mol
LogP5.05
Rot. Bonds10

About N-[4-[[2-(4-phenylmethoxyanilino)acetyl]amino]phenyl]butanamide

N-[4-[[2-(4-phenylmethoxyanilino)acetyl]amino]phenyl]butanamide (PubChem CID 54821938) has the molecular formula C25H27N3O3 and a molecular weight of 417.51 g/mol. Its IUPAC name is N-[4-[[2-(4-phenylmethoxyanilino)acetyl]amino]phenyl]butanamide.

Molecular Properties

Compound NameN-[4-[[2-(4-phenylmethoxyanilino)acetyl]amino]phenyl]butanamide
PubChem CID54821938
Molecular FormulaC25H27N3O3
Molecular Weight417.51 g/mol
Exact Mass417.21
IUPAC NameN-[4-[[2-(4-phenylmethoxyanilino)acetyl]amino]phenyl]butanamide
SMILESCCCC(=O)Nc1ccc(NC(=O)CNc2ccc(OCc3ccccc3)cc2)cc1
InChIInChI=1S/C25H27N3O3/c1-2-6-24(29)27-21-9-11-22(12-10-21)28-25(30)17-26-20-13-15-23(16-14-20)31-18-19-7-4-3-5-8-19/h3-5,7-16,26H,2,6,17-18H2,1H3,(H,27,29)(H,28,30)
InChIKeyXARUKDGCJXBWKL-UHFFFAOYSA-N
XLogP5.05
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500417.51
LogP ≤ 55.05
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

N-[2-oxo-2-(4-phenylmethoxyanilino)ethyl]butanamide
CID 113000427
N-[4-[[2-[4-(2-phenoxyethoxy)anilino]acetyl]amino]phenyl]butanamide
CID 54822685
2-[4-(dimethylamino)anilino]-N-(4-phenylmethoxyphenyl)acetamide
CID 109010303
propyl 4-[[2-(4-phenylmethoxyanilino)acetyl]amino]benzoate
CID 54822023
4-[[2-oxo-2-(4-phenylmethoxyanilino)ethyl]amino]-N,N-dipropylbenzamide
CID 54832179
N-[4-[[2-(4-butoxyanilino)acetyl]amino]phenyl]butanamide
CID 54820523
N,N-diethyl-4-[[2-(4-phenylmethoxyanilino)acetyl]amino]benzamide
CID 37221073
ethyl 4-oxo-4-(4-phenylmethoxyanilino)butanoate
CID 4947468
N-naphthalen-2-yl-2-(4-phenylmethoxyanilino)acetamide
CID 54821756
N-[4-[acetyl(methyl)amino]phenyl]-2-(4-phenylmethoxyanilino)acetamide
CID 54821839
4-[[2-oxo-2-(4-phenylmethoxyanilino)ethyl]amino]-N-propan-2-ylbenzamide
CID 54840386
2-(2-butoxyanilino)-N-(4-phenylmethoxyphenyl)acetamide
CID 54827744

Frequently Asked Questions

What is the IUPAC name of N-[4-[[2-(4-phenylmethoxyanilino)acetyl]amino]phenyl]butanamide?
The IUPAC name of N-[4-[[2-(4-phenylmethoxyanilino)acetyl]amino]phenyl]butanamide (CID 54821938) is N-[4-[[2-(4-phenylmethoxyanilino)acetyl]amino]phenyl]butanamide.
What is the SMILES notation for N-[4-[[2-(4-phenylmethoxyanilino)acetyl]amino]phenyl]butanamide?
The canonical SMILES for N-[4-[[2-(4-phenylmethoxyanilino)acetyl]amino]phenyl]butanamide is CCCC(=O)Nc1ccc(NC(=O)CNc2ccc(OCc3ccccc3)cc2)cc1.
What is the InChIKey of N-[4-[[2-(4-phenylmethoxyanilino)acetyl]amino]phenyl]butanamide?
The InChIKey is XARUKDGCJXBWKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N3O3/c1-2-6-24(29)27-21-9-11-22(12-10-21)28-25(30)17-26-20-13-15-23(16-14-20)31-18-19-7-4-3-5-8-19/h3-5,7-16,26H,2,6,17-18H2,1H3,(H,27,29)(H,28,30).
What are the key properties of N-[4-[[2-(4-phenylmethoxyanilino)acetyl]amino]phenyl]butanamide?
N-[4-[[2-(4-phenylmethoxyanilino)acetyl]amino]phenyl]butanamide has a molecular weight of 417.51 g/mol, XLogP of 5.05, 10 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[2-(4-phenylmethoxyanilino)acetyl]amino]phenyl]butanamide is sourced from PubChem (CID 54821938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).