[(8-anilino-8-oxooctanoyl)amino] 3-phenylpropanoate

C23H28N2O4 — CID 11589333

IUPAC[(8-anilino-8-oxooctanoyl)amino] 3-phenylpropanoate
SMILESO=C(CCCCCCC(=O)Nc1ccccc1)NOC(=O)CCc1ccccc1
InChIInChI=1S/C23H28N2O4/c26-21(24-20-13-7-4-8-14-20)15-9-1-2-10-16-22(27)25-29-23(28)18-17-19-11-5-3-6-12-19/h3-8,11-14H,1-2,9-10,15-18H2,(H,24,26)(H,25,27)
InChIKeyRFYCRNBLBIKGBX-UHFFFAOYSA-N
MW396.49 g/mol
LogP4.17
Rot. Bonds11

About [(8-anilino-8-oxooctanoyl)amino] 3-phenylpropanoate

[(8-anilino-8-oxooctanoyl)amino] 3-phenylpropanoate (PubChem CID 11589333) has the molecular formula C23H28N2O4 and a molecular weight of 396.49 g/mol. Its IUPAC name is [(8-anilino-8-oxooctanoyl)amino] 3-phenylpropanoate.

Molecular Properties

Compound Name[(8-anilino-8-oxooctanoyl)amino] 3-phenylpropanoate
PubChem CID11589333
Molecular FormulaC23H28N2O4
Molecular Weight396.49 g/mol
Exact Mass396.20
IUPAC Name[(8-anilino-8-oxooctanoyl)amino] 3-phenylpropanoate
SMILESO=C(CCCCCCC(=O)Nc1ccccc1)NOC(=O)CCc1ccccc1
InChIInChI=1S/C23H28N2O4/c26-21(24-20-13-7-4-8-14-20)15-9-1-2-10-16-22(27)25-29-23(28)18-17-19-11-5-3-6-12-19/h3-8,11-14H,1-2,9-10,15-18H2,(H,24,26)(H,25,27)
InChIKeyRFYCRNBLBIKGBX-UHFFFAOYSA-N
XLogP4.17
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.49
LogP ≤ 54.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze [(8-anilino-8-oxooctanoyl)amino] 3-phenylpropanoate 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

bis[(8-anilino-8-oxooctanoyl)amino] hexanedioate
CID 66574923
N,N'-bis[4-(3-phenylpropanoylamino)phenyl]pentanediamide
CID 17233797
3-[[(8-anilino-8-oxooctanoyl)amino]oxycarbonylamino]propanoic acid
CID 146370179
11-anilino-11-oxoundecanoic acid
CID 150341840
44-anilino-44-oxotetratetracontanoic acid
CID 152661091
N,N'-bis[4-(2-phenylethoxy)phenyl]nonanediamide
CID 17067257
3-phenyl-N-[4-(phenylcarbamoylamino)phenyl]propanamide
CID 17233492
4-(3-phenylpropanoylamino)benzamide
CID 675903
formamide;N-phenylheptanamide
CID 143464966
4-(4-aminophenyl)-N-phenylbutanamide
CID 19353885
[[2-[4-(4-phenylbutyl)phenyl]acetyl]amino] 6-aminohexanoate
CID 118235237
3-phenylpropyl 5-oxo-5-[3-(3-phenylpropanoylamino)anilino]pentanoate
CID 17222891

Frequently Asked Questions

What is the IUPAC name of [(8-anilino-8-oxooctanoyl)amino] 3-phenylpropanoate?
The IUPAC name of [(8-anilino-8-oxooctanoyl)amino] 3-phenylpropanoate (CID 11589333) is [(8-anilino-8-oxooctanoyl)amino] 3-phenylpropanoate.
What is the SMILES notation for [(8-anilino-8-oxooctanoyl)amino] 3-phenylpropanoate?
The canonical SMILES for [(8-anilino-8-oxooctanoyl)amino] 3-phenylpropanoate is O=C(CCCCCCC(=O)Nc1ccccc1)NOC(=O)CCc1ccccc1.
What is the InChIKey of [(8-anilino-8-oxooctanoyl)amino] 3-phenylpropanoate?
The InChIKey is RFYCRNBLBIKGBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O4/c26-21(24-20-13-7-4-8-14-20)15-9-1-2-10-16-22(27)25-29-23(28)18-17-19-11-5-3-6-12-19/h3-8,11-14H,1-2,9-10,15-18H2,(H,24,26)(H,25,27).
What are the key properties of [(8-anilino-8-oxooctanoyl)amino] 3-phenylpropanoate?
[(8-anilino-8-oxooctanoyl)amino] 3-phenylpropanoate has a molecular weight of 396.49 g/mol, XLogP of 4.17, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(8-anilino-8-oxooctanoyl)amino] 3-phenylpropanoate is sourced from PubChem (CID 11589333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).