nonyl 3-[(4-ethylbenzoyl)amino]propanoate

C21H33NO3 — CID 91714743

IUPACnonyl 3-[(4-ethylbenzoyl)amino]propanoate
SMILESCCCCCCCCCOC(=O)CCNC(=O)c1ccc(CC)cc1
InChIInChI=1S/C21H33NO3/c1-3-5-6-7-8-9-10-17-25-20(23)15-16-22-21(24)19-13-11-18(4-2)12-14-19/h11-14H,3-10,15-17H2,1-2H3,(H,22,24)
InChIKeyPHUFWTICOJIPSG-UHFFFAOYSA-N
MW347.50 g/mol
LogP4.66
Rot. Bonds13

About nonyl 3-[(4-ethylbenzoyl)amino]propanoate

nonyl 3-[(4-ethylbenzoyl)amino]propanoate (PubChem CID 91714743) has the molecular formula C21H33NO3 and a molecular weight of 347.50 g/mol. Its IUPAC name is nonyl 3-[(4-ethylbenzoyl)amino]propanoate.

Molecular Properties

Compound Namenonyl 3-[(4-ethylbenzoyl)amino]propanoate
PubChem CID91714743
Molecular FormulaC21H33NO3
Molecular Weight347.50 g/mol
Exact Mass347.25
IUPAC Namenonyl 3-[(4-ethylbenzoyl)amino]propanoate
SMILESCCCCCCCCCOC(=O)CCNC(=O)c1ccc(CC)cc1
InChIInChI=1S/C21H33NO3/c1-3-5-6-7-8-9-10-17-25-20(23)15-16-22-21(24)19-13-11-18(4-2)12-14-19/h11-14H,3-10,15-17H2,1-2H3,(H,22,24)
InChIKeyPHUFWTICOJIPSG-UHFFFAOYSA-N
XLogP4.66
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.50
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze nonyl 3-[(4-ethylbenzoyl)amino]propanoate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of nonyl 3-[(4-ethylbenzoyl)amino]propanoate?
The IUPAC name of nonyl 3-[(4-ethylbenzoyl)amino]propanoate (CID 91714743) is nonyl 3-[(4-ethylbenzoyl)amino]propanoate.
What is the SMILES notation for nonyl 3-[(4-ethylbenzoyl)amino]propanoate?
The canonical SMILES for nonyl 3-[(4-ethylbenzoyl)amino]propanoate is CCCCCCCCCOC(=O)CCNC(=O)c1ccc(CC)cc1.
What is the InChIKey of nonyl 3-[(4-ethylbenzoyl)amino]propanoate?
The InChIKey is PHUFWTICOJIPSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H33NO3/c1-3-5-6-7-8-9-10-17-25-20(23)15-16-22-21(24)19-13-11-18(4-2)12-14-19/h11-14H,3-10,15-17H2,1-2H3,(H,22,24).
What are the key properties of nonyl 3-[(4-ethylbenzoyl)amino]propanoate?
nonyl 3-[(4-ethylbenzoyl)amino]propanoate has a molecular weight of 347.50 g/mol, XLogP of 4.66, 13 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for nonyl 3-[(4-ethylbenzoyl)amino]propanoate is sourced from PubChem (CID 91714743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).