4-[[2-oxo-2-(4-phenylmethoxyanilino)ethyl]amino]-N-propan-2-ylbenzamide

C25H27N3O3 — CID 54840386

IUPAC4-[[2-oxo-2-(4-phenylmethoxyanilino)ethyl]amino]-N-propan-2-ylbenzamide
SMILESCC(C)NC(=O)c1ccc(NCC(=O)Nc2ccc(OCc3ccccc3)cc2)cc1
InChIInChI=1S/C25H27N3O3/c1-18(2)27-25(30)20-8-10-21(11-9-20)26-16-24(29)28-22-12-14-23(15-13-22)31-17-19-6-4-3-5-7-19/h3-15,18,26H,16-17H2,1-2H3,(H,27,30)(H,28,29)
InChIKeyKVTLMLVFWCDKEQ-UHFFFAOYSA-N
MW417.51 g/mol
LogP4.45
Rot. Bonds9

About 4-[[2-oxo-2-(4-phenylmethoxyanilino)ethyl]amino]-N-propan-2-ylbenzamide

4-[[2-oxo-2-(4-phenylmethoxyanilino)ethyl]amino]-N-propan-2-ylbenzamide (PubChem CID 54840386) has the molecular formula C25H27N3O3 and a molecular weight of 417.51 g/mol. Its IUPAC name is 4-[[2-oxo-2-(4-phenylmethoxyanilino)ethyl]amino]-N-propan-2-ylbenzamide.

Molecular Properties

Compound Name4-[[2-oxo-2-(4-phenylmethoxyanilino)ethyl]amino]-N-propan-2-ylbenzamide
PubChem CID54840386
Molecular FormulaC25H27N3O3
Molecular Weight417.51 g/mol
Exact Mass417.21
IUPAC Name4-[[2-oxo-2-(4-phenylmethoxyanilino)ethyl]amino]-N-propan-2-ylbenzamide
SMILESCC(C)NC(=O)c1ccc(NCC(=O)Nc2ccc(OCc3ccccc3)cc2)cc1
InChIInChI=1S/C25H27N3O3/c1-18(2)27-25(30)20-8-10-21(11-9-20)26-16-24(29)28-22-12-14-23(15-13-22)31-17-19-6-4-3-5-7-19/h3-15,18,26H,16-17H2,1-2H3,(H,27,30)(H,28,29)
InChIKeyKVTLMLVFWCDKEQ-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

Analyze 4-[[2-oxo-2-(4-phenylmethoxyanilino)ethyl]amino]-N-propan-2-ylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[[2-oxo-2-(4-phenylmethoxyanilino)ethyl]amino]-N-(1-phenylethyl)benzamide
CID 54846404
N-[4-[[2-(4-phenylmethoxyanilino)acetyl]amino]phenyl]butanamide
CID 54821938
N-butan-2-yl-4-[[2-[4-(2-phenylethoxy)anilino]acetyl]amino]benzamide
CID 54823938
N,N-diethyl-4-[[2-(4-phenylmethoxyanilino)acetyl]amino]benzamide
CID 37221073
N-[2-oxo-2-(propan-2-ylamino)ethyl]-4-phenylmethoxybenzamide
CID 9300981
2-[4-(dimethylamino)anilino]-N-(4-phenylmethoxyphenyl)acetamide
CID 109010303
3-methyl-N-[4-[[2-oxo-2-(4-phenylmethoxyanilino)ethyl]amino]phenyl]benzamide
CID 54840284
N-(4-phenylmethoxyphenyl)-2-[4-(pyrrolidine-1-carbonyl)anilino]acetamide
CID 54833960
propyl 4-[[2-(4-phenylmethoxyanilino)acetyl]amino]benzoate
CID 54822023
4-[[2-(4-hexoxyanilino)acetyl]amino]-N-propan-2-ylbenzamide
CID 54820861
4-[[2-oxo-2-(4-phenylmethoxyanilino)ethyl]amino]-N,N-dipropylbenzamide
CID 54832179
N-benzyl-4-[[2-[4-(2-methylpropoxy)anilino]-2-oxoethyl]amino]benzamide
CID 54843854

Frequently Asked Questions

What is the IUPAC name of 4-[[2-oxo-2-(4-phenylmethoxyanilino)ethyl]amino]-N-propan-2-ylbenzamide?
The IUPAC name of 4-[[2-oxo-2-(4-phenylmethoxyanilino)ethyl]amino]-N-propan-2-ylbenzamide (CID 54840386) is 4-[[2-oxo-2-(4-phenylmethoxyanilino)ethyl]amino]-N-propan-2-ylbenzamide.
What is the SMILES notation for 4-[[2-oxo-2-(4-phenylmethoxyanilino)ethyl]amino]-N-propan-2-ylbenzamide?
The canonical SMILES for 4-[[2-oxo-2-(4-phenylmethoxyanilino)ethyl]amino]-N-propan-2-ylbenzamide is CC(C)NC(=O)c1ccc(NCC(=O)Nc2ccc(OCc3ccccc3)cc2)cc1.
What is the InChIKey of 4-[[2-oxo-2-(4-phenylmethoxyanilino)ethyl]amino]-N-propan-2-ylbenzamide?
The InChIKey is KVTLMLVFWCDKEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N3O3/c1-18(2)27-25(30)20-8-10-21(11-9-20)26-16-24(29)28-22-12-14-23(15-13-22)31-17-19-6-4-3-5-7-19/h3-15,18,26H,16-17H2,1-2H3,(H,27,30)(H,28,29).
What are the key properties of 4-[[2-oxo-2-(4-phenylmethoxyanilino)ethyl]amino]-N-propan-2-ylbenzamide?
4-[[2-oxo-2-(4-phenylmethoxyanilino)ethyl]amino]-N-propan-2-ylbenzamide 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 4-[[2-oxo-2-(4-phenylmethoxyanilino)ethyl]amino]-N-propan-2-ylbenzamide is sourced from PubChem (CID 54840386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).