3-methyl-N-[4-[[2-[4-(3-phenylpropanoylamino)anilino]acetyl]amino]phenyl]butanamide

C28H32N4O3 — CID 54839278

IUPAC3-methyl-N-[4-[[2-[4-(3-phenylpropanoylamino)anilino]acetyl]amino]phenyl]butanamide
SMILESCC(C)CC(=O)Nc1ccc(NC(=O)CNc2ccc(NC(=O)CCc3ccccc3)cc2)cc1
InChIInChI=1S/C28H32N4O3/c1-20(2)18-27(34)31-24-13-15-25(16-14-24)32-28(35)19-29-22-9-11-23(12-10-22)30-26(33)17-8-21-6-4-3-5-7-21/h3-7,9-16,20,29H,8,17-19H2,1-2H3,(H,30,33)(H,31,34)(H,32,35)
InChIKeyFSOJNEJFEPNVRG-UHFFFAOYSA-N
MW472.59 g/mol
LogP5.29
Rot. Bonds11

About 3-methyl-N-[4-[[2-[4-(3-phenylpropanoylamino)anilino]acetyl]amino]phenyl]butanamide

3-methyl-N-[4-[[2-[4-(3-phenylpropanoylamino)anilino]acetyl]amino]phenyl]butanamide (PubChem CID 54839278) has the molecular formula C28H32N4O3 and a molecular weight of 472.59 g/mol. Its IUPAC name is 3-methyl-N-[4-[[2-[4-(3-phenylpropanoylamino)anilino]acetyl]amino]phenyl]butanamide.

Molecular Properties

Compound Name3-methyl-N-[4-[[2-[4-(3-phenylpropanoylamino)anilino]acetyl]amino]phenyl]butanamide
PubChem CID54839278
Molecular FormulaC28H32N4O3
Molecular Weight472.59 g/mol
Exact Mass472.25
IUPAC Name3-methyl-N-[4-[[2-[4-(3-phenylpropanoylamino)anilino]acetyl]amino]phenyl]butanamide
SMILESCC(C)CC(=O)Nc1ccc(NC(=O)CNc2ccc(NC(=O)CCc3ccccc3)cc2)cc1
InChIInChI=1S/C28H32N4O3/c1-20(2)18-27(34)31-24-13-15-25(16-14-24)32-28(35)19-29-22-9-11-23(12-10-22)30-26(33)17-8-21-6-4-3-5-7-21/h3-7,9-16,20,29H,8,17-19H2,1-2H3,(H,30,33)(H,31,34)(H,32,35)
InChIKeyFSOJNEJFEPNVRG-UHFFFAOYSA-N
XLogP5.29
TPSA99.33 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500472.59
LogP ≤ 55.29
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze 3-methyl-N-[4-[[2-[4-(3-phenylpropanoylamino)anilino]acetyl]amino]phenyl]butanamide with MolForge

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Related Compounds

N-[4-[(2-anilinoacetyl)amino]phenyl]-3-phenylpropanamide
CID 54810342
2-methyl-N-[4-[[2-[4-(3-phenylpropanoylamino)anilino]acetyl]amino]phenyl]propanamide
CID 54839162
3-methyl-N-[4-[[2-[4-(2-phenylethoxy)anilino]acetyl]amino]phenyl]butanamide
CID 54823706
N-ethyl-4-[[2-[4-(3-phenylpropanoylamino)anilino]acetyl]amino]benzamide
CID 54839192
N-[4-[3-(4-ethylphenyl)propanoylamino]phenyl]-3-methylbutanamide
CID 33025303
N-[3-[[2-(4-methylanilino)acetyl]amino]phenyl]-3-phenylpropanamide
CID 54814254
N-[4-[[2-(methylamino)acetyl]amino]phenyl]-3-phenylpropanamide
CID 54820849
N-[4-[[2-(dimethylamino)-2-oxoethyl]amino]phenyl]-3-phenylpropanamide
CID 54839252
N-(4-methylphenyl)-3-phenylpropanamide
CID 778861
N-[4-[[2-[4-(2-phenoxyethoxy)anilino]acetyl]amino]phenyl]-3-phenylpropanamide
CID 54823082
N-[4-[[2-[2-methyl-3-(propanoylamino)anilino]-2-oxoethyl]amino]phenyl]-3-phenylpropanamide
CID 54839402
N,N-diethyl-4-[[2-oxo-2-[4-(3-phenylpropanoylamino)anilino]ethyl]amino]benzamide
CID 54834109

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[4-[[2-[4-(3-phenylpropanoylamino)anilino]acetyl]amino]phenyl]butanamide?
The IUPAC name of 3-methyl-N-[4-[[2-[4-(3-phenylpropanoylamino)anilino]acetyl]amino]phenyl]butanamide (CID 54839278) is 3-methyl-N-[4-[[2-[4-(3-phenylpropanoylamino)anilino]acetyl]amino]phenyl]butanamide.
What is the SMILES notation for 3-methyl-N-[4-[[2-[4-(3-phenylpropanoylamino)anilino]acetyl]amino]phenyl]butanamide?
The canonical SMILES for 3-methyl-N-[4-[[2-[4-(3-phenylpropanoylamino)anilino]acetyl]amino]phenyl]butanamide is CC(C)CC(=O)Nc1ccc(NC(=O)CNc2ccc(NC(=O)CCc3ccccc3)cc2)cc1.
What is the InChIKey of 3-methyl-N-[4-[[2-[4-(3-phenylpropanoylamino)anilino]acetyl]amino]phenyl]butanamide?
The InChIKey is FSOJNEJFEPNVRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32N4O3/c1-20(2)18-27(34)31-24-13-15-25(16-14-24)32-28(35)19-29-22-9-11-23(12-10-22)30-26(33)17-8-21-6-4-3-5-7-21/h3-7,9-16,20,29H,8,17-19H2,1-2H3,(H,30,33)(H,31,34)(H,32,35).
What are the key properties of 3-methyl-N-[4-[[2-[4-(3-phenylpropanoylamino)anilino]acetyl]amino]phenyl]butanamide?
3-methyl-N-[4-[[2-[4-(3-phenylpropanoylamino)anilino]acetyl]amino]phenyl]butanamide has a molecular weight of 472.59 g/mol, XLogP of 5.29, 11 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[4-[[2-[4-(3-phenylpropanoylamino)anilino]acetyl]amino]phenyl]butanamide is sourced from PubChem (CID 54839278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).