N-[3-[[2-oxo-2-[4-(propanoylamino)anilino]ethyl]amino]phenyl]-3-phenylpropanamide

C26H28N4O3 — CID 54837505

IUPACN-[3-[[2-oxo-2-[4-(propanoylamino)anilino]ethyl]amino]phenyl]-3-phenylpropanamide
SMILESCCC(=O)Nc1ccc(NC(=O)CNc2cccc(NC(=O)CCc3ccccc3)c2)cc1
InChIInChI=1S/C26H28N4O3/c1-2-24(31)28-20-12-14-21(15-13-20)29-26(33)18-27-22-9-6-10-23(17-22)30-25(32)16-11-19-7-4-3-5-8-19/h3-10,12-15,17,27H,2,11,16,18H2,1H3,(H,28,31)(H,29,33)(H,30,32)
InChIKeyJLBQCUDWPCTKDZ-UHFFFAOYSA-N
MW444.54 g/mol
LogP4.66
Rot. Bonds10

About N-[3-[[2-oxo-2-[4-(propanoylamino)anilino]ethyl]amino]phenyl]-3-phenylpropanamide

N-[3-[[2-oxo-2-[4-(propanoylamino)anilino]ethyl]amino]phenyl]-3-phenylpropanamide (PubChem CID 54837505) has the molecular formula C26H28N4O3 and a molecular weight of 444.54 g/mol. Its IUPAC name is N-[3-[[2-oxo-2-[4-(propanoylamino)anilino]ethyl]amino]phenyl]-3-phenylpropanamide.

Molecular Properties

Compound NameN-[3-[[2-oxo-2-[4-(propanoylamino)anilino]ethyl]amino]phenyl]-3-phenylpropanamide
PubChem CID54837505
Molecular FormulaC26H28N4O3
Molecular Weight444.54 g/mol
Exact Mass444.22
IUPAC NameN-[3-[[2-oxo-2-[4-(propanoylamino)anilino]ethyl]amino]phenyl]-3-phenylpropanamide
SMILESCCC(=O)Nc1ccc(NC(=O)CNc2cccc(NC(=O)CCc3ccccc3)c2)cc1
InChIInChI=1S/C26H28N4O3/c1-2-24(31)28-20-12-14-21(15-13-20)29-26(33)18-27-22-9-6-10-23(17-22)30-25(32)16-11-19-7-4-3-5-8-19/h3-10,12-15,17,27H,2,11,16,18H2,1H3,(H,28,31)(H,29,33)(H,30,32)
InChIKeyJLBQCUDWPCTKDZ-UHFFFAOYSA-N
XLogP4.66
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 ≤ 54.66
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-[[2-(4-methylanilino)acetyl]amino]phenyl]-3-phenylpropanamide
CID 54814254
N-[4-[[2-[2-methyl-3-(propanoylamino)anilino]-2-oxoethyl]amino]phenyl]-3-phenylpropanamide
CID 54839402
N-[4-[(2-anilinoacetyl)amino]phenyl]-3-phenylpropanamide
CID 54810342
3-methyl-N-[4-[[2-[3-(3-phenylpropanoylamino)anilino]acetyl]amino]phenyl]benzamide
CID 54837534
N-[3-[[2-(2-ethyl-6-methylanilino)-2-oxoethyl]amino]phenyl]-3-phenylpropanamide
CID 54837342
3-phenyl-N-[3-[[2-(3-propoxyanilino)acetyl]amino]phenyl]propanamide
CID 54825190
N,N-dimethyl-3-[[2-oxo-2-[4-(3-phenylpropanoylamino)anilino]ethyl]amino]benzamide
CID 54840725
N-[3-[[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]amino]phenyl]-3-phenylpropanamide
CID 54837317
N,N-dimethyl-3-[3-[[2-oxo-2-[3-(propanoylamino)anilino]ethyl]amino]phenyl]propanamide
CID 54845974
N-[4-[[2-[3-(3-phenylpropoxy)anilino]acetyl]amino]phenyl]propanamide
CID 54827369
N-[3-[[2-[4-(3-phenylpropoxy)anilino]acetyl]amino]phenyl]propanamide
CID 54825403
N-[4-[[2-(3-butan-2-yloxyanilino)-2-oxoethyl]amino]phenyl]-3-phenylpropanamide
CID 54839942

Frequently Asked Questions

What is the IUPAC name of N-[3-[[2-oxo-2-[4-(propanoylamino)anilino]ethyl]amino]phenyl]-3-phenylpropanamide?
The IUPAC name of N-[3-[[2-oxo-2-[4-(propanoylamino)anilino]ethyl]amino]phenyl]-3-phenylpropanamide (CID 54837505) is N-[3-[[2-oxo-2-[4-(propanoylamino)anilino]ethyl]amino]phenyl]-3-phenylpropanamide.
What is the SMILES notation for N-[3-[[2-oxo-2-[4-(propanoylamino)anilino]ethyl]amino]phenyl]-3-phenylpropanamide?
The canonical SMILES for N-[3-[[2-oxo-2-[4-(propanoylamino)anilino]ethyl]amino]phenyl]-3-phenylpropanamide is CCC(=O)Nc1ccc(NC(=O)CNc2cccc(NC(=O)CCc3ccccc3)c2)cc1.
What is the InChIKey of N-[3-[[2-oxo-2-[4-(propanoylamino)anilino]ethyl]amino]phenyl]-3-phenylpropanamide?
The InChIKey is JLBQCUDWPCTKDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N4O3/c1-2-24(31)28-20-12-14-21(15-13-20)29-26(33)18-27-22-9-6-10-23(17-22)30-25(32)16-11-19-7-4-3-5-8-19/h3-10,12-15,17,27H,2,11,16,18H2,1H3,(H,28,31)(H,29,33)(H,30,32).
What are the key properties of N-[3-[[2-oxo-2-[4-(propanoylamino)anilino]ethyl]amino]phenyl]-3-phenylpropanamide?
N-[3-[[2-oxo-2-[4-(propanoylamino)anilino]ethyl]amino]phenyl]-3-phenylpropanamide has a molecular weight of 444.54 g/mol, XLogP of 4.66, 10 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[2-oxo-2-[4-(propanoylamino)anilino]ethyl]amino]phenyl]-3-phenylpropanamide is sourced from PubChem (CID 54837505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).