N-ethyl-4-[[2-[4-(3-phenylpropanoylamino)anilino]acetyl]amino]benzamide

C26H28N4O3 — CID 54839192

IUPACN-ethyl-4-[[2-[4-(3-phenylpropanoylamino)anilino]acetyl]amino]benzamide
SMILESCCNC(=O)c1ccc(NC(=O)CNc2ccc(NC(=O)CCc3ccccc3)cc2)cc1
InChIInChI=1S/C26H28N4O3/c1-2-27-26(33)20-9-11-22(12-10-20)30-25(32)18-28-21-13-15-23(16-14-21)29-24(31)17-8-19-6-4-3-5-7-19/h3-7,9-16,28H,2,8,17-18H2,1H3,(H,27,33)(H,29,31)(H,30,32)
InChIKeyTYXUMEQYTZYWQY-UHFFFAOYSA-N
MW444.54 g/mol
LogP4.06
Rot. Bonds10

About N-ethyl-4-[[2-[4-(3-phenylpropanoylamino)anilino]acetyl]amino]benzamide

N-ethyl-4-[[2-[4-(3-phenylpropanoylamino)anilino]acetyl]amino]benzamide (PubChem CID 54839192) has the molecular formula C26H28N4O3 and a molecular weight of 444.54 g/mol. Its IUPAC name is N-ethyl-4-[[2-[4-(3-phenylpropanoylamino)anilino]acetyl]amino]benzamide.

Molecular Properties

Compound NameN-ethyl-4-[[2-[4-(3-phenylpropanoylamino)anilino]acetyl]amino]benzamide
PubChem CID54839192
Molecular FormulaC26H28N4O3
Molecular Weight444.54 g/mol
Exact Mass444.22
IUPAC NameN-ethyl-4-[[2-[4-(3-phenylpropanoylamino)anilino]acetyl]amino]benzamide
SMILESCCNC(=O)c1ccc(NC(=O)CNc2ccc(NC(=O)CCc3ccccc3)cc2)cc1
InChIInChI=1S/C26H28N4O3/c1-2-27-26(33)20-9-11-22(12-10-20)30-25(32)18-28-21-13-15-23(16-14-21)29-24(31)17-8-19-6-4-3-5-7-19/h3-7,9-16,28H,2,8,17-18H2,1H3,(H,27,33)(H,29,31)(H,30,32)
InChIKeyTYXUMEQYTZYWQY-UHFFFAOYSA-N
XLogP4.06
TPSA99.33 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.54
LogP ≤ 54.06
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze N-ethyl-4-[[2-[4-(3-phenylpropanoylamino)anilino]acetyl]amino]benzamide with MolForge

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Related Compounds

N-ethyl-4-[[2-[4-(ethylcarbamoyl)anilino]-2-oxoethyl]amino]benzamide
CID 54839505
N-ethyl-4-[[2-[4-(2-phenylethoxy)anilino]acetyl]amino]benzamide
CID 54823874
N,N-diethyl-4-[[2-oxo-2-[4-(3-phenylpropanoylamino)anilino]ethyl]amino]benzamide
CID 54834109
N-[4-[(2-anilinoacetyl)amino]phenyl]-3-phenylpropanamide
CID 54810342
N-(furan-2-ylmethyl)-4-[[2-[4-(3-phenylpropanoylamino)anilino]acetyl]amino]benzamide
CID 54839165
N-(furan-2-ylmethyl)-4-[[2-oxo-2-[4-(3-phenylpropanoylamino)anilino]ethyl]amino]benzamide
CID 54842956
N-(2-phenylethyl)-4-(3-phenylpropanoylamino)benzamide
CID 1296529
propyl 4-[[2-oxo-2-[4-(3-phenylpropanoylamino)anilino]ethyl]amino]benzoate
CID 54812904
N-ethyl-4-[[2-oxo-2-[4-(2-phenoxyethoxy)anilino]ethyl]amino]benzamide
CID 54839113
2-methyl-N-[4-[[2-[4-(3-phenylpropanoylamino)anilino]acetyl]amino]phenyl]propanamide
CID 54839162
3-methyl-N-[4-[[2-[4-(3-phenylpropanoylamino)anilino]acetyl]amino]phenyl]butanamide
CID 54839278
4-[3-(4-aminophenyl)propanoylamino]-N-ethylbenzamide
CID 54795405

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-[[2-[4-(3-phenylpropanoylamino)anilino]acetyl]amino]benzamide?
The IUPAC name of N-ethyl-4-[[2-[4-(3-phenylpropanoylamino)anilino]acetyl]amino]benzamide (CID 54839192) is N-ethyl-4-[[2-[4-(3-phenylpropanoylamino)anilino]acetyl]amino]benzamide.
What is the SMILES notation for N-ethyl-4-[[2-[4-(3-phenylpropanoylamino)anilino]acetyl]amino]benzamide?
The canonical SMILES for N-ethyl-4-[[2-[4-(3-phenylpropanoylamino)anilino]acetyl]amino]benzamide is CCNC(=O)c1ccc(NC(=O)CNc2ccc(NC(=O)CCc3ccccc3)cc2)cc1.
What is the InChIKey of N-ethyl-4-[[2-[4-(3-phenylpropanoylamino)anilino]acetyl]amino]benzamide?
The InChIKey is TYXUMEQYTZYWQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N4O3/c1-2-27-26(33)20-9-11-22(12-10-20)30-25(32)18-28-21-13-15-23(16-14-21)29-24(31)17-8-19-6-4-3-5-7-19/h3-7,9-16,28H,2,8,17-18H2,1H3,(H,27,33)(H,29,31)(H,30,32).
What are the key properties of N-ethyl-4-[[2-[4-(3-phenylpropanoylamino)anilino]acetyl]amino]benzamide?
N-ethyl-4-[[2-[4-(3-phenylpropanoylamino)anilino]acetyl]amino]benzamide has a molecular weight of 444.54 g/mol, XLogP of 4.06, 10 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-[[2-[4-(3-phenylpropanoylamino)anilino]acetyl]amino]benzamide is sourced from PubChem (CID 54839192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).