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

C23H37NO3 — CID 91714756

IUPACundecyl 3-[(4-ethylbenzoyl)amino]propanoate
SMILESCCCCCCCCCCCOC(=O)CCNC(=O)c1ccc(CC)cc1
InChIInChI=1S/C23H37NO3/c1-3-5-6-7-8-9-10-11-12-19-27-22(25)17-18-24-23(26)21-15-13-20(4-2)14-16-21/h13-16H,3-12,17-19H2,1-2H3,(H,24,26)
InChIKeyNRHZFUKTDNXZBH-UHFFFAOYSA-N
MW375.55 g/mol
LogP5.44
Rot. Bonds15

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

undecyl 3-[(4-ethylbenzoyl)amino]propanoate (PubChem CID 91714756) has the molecular formula C23H37NO3 and a molecular weight of 375.55 g/mol. Its IUPAC name is undecyl 3-[(4-ethylbenzoyl)amino]propanoate.

Molecular Properties

Compound Nameundecyl 3-[(4-ethylbenzoyl)amino]propanoate
PubChem CID91714756
Molecular FormulaC23H37NO3
Molecular Weight375.55 g/mol
Exact Mass375.28
IUPAC Nameundecyl 3-[(4-ethylbenzoyl)amino]propanoate
SMILESCCCCCCCCCCCOC(=O)CCNC(=O)c1ccc(CC)cc1
InChIInChI=1S/C23H37NO3/c1-3-5-6-7-8-9-10-11-12-19-27-22(25)17-18-24-23(26)21-15-13-20(4-2)14-16-21/h13-16H,3-12,17-19H2,1-2H3,(H,24,26)
InChIKeyNRHZFUKTDNXZBH-UHFFFAOYSA-N
XLogP5.44
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds15
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.55
LogP ≤ 55.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze undecyl 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

Related Compounds

tridecyl 2-[(4-ethylbenzoyl)amino]acetate
CID 6422884
octyl 3-[[4-(trifluoromethyl)benzoyl]amino]propanoate
CID 91726390
pentyl 3-[3-[(4-methylbenzoyl)amino]propanoylamino]propanoate
CID 91710666
nonyl 3-[(3-methylbenzoyl)amino]propanoate
CID 91710771
ethyl 3-[3-[(4-ethylbenzoyl)amino]propanoylamino]propanoate
CID 91714717
nonyl 3-[(3-methoxybenzoyl)amino]propanoate
CID 91715386
hexyl 3-[(2-methylbenzoyl)amino]propanoate
CID 91710225
decyl 3-[(2-chlorobenzoyl)amino]propanoate
CID 91716594
dodecyl 3-[(2-methylbenzoyl)amino]propanoate
CID 91710231
3-[[4-[7-(4-pentylphenoxy)heptyl]benzoyl]amino]propanoic acid
CID 67486020
butyl 3-(furan-3-carbonylamino)propanoate
CID 112727943
dodecyl (2S)-2-[(4-ethylbenzoyl)amino]propanoate
CID 20836931

Frequently Asked Questions

What is the IUPAC name of undecyl 3-[(4-ethylbenzoyl)amino]propanoate?
The IUPAC name of undecyl 3-[(4-ethylbenzoyl)amino]propanoate (CID 91714756) is undecyl 3-[(4-ethylbenzoyl)amino]propanoate.
What is the SMILES notation for undecyl 3-[(4-ethylbenzoyl)amino]propanoate?
The canonical SMILES for undecyl 3-[(4-ethylbenzoyl)amino]propanoate is CCCCCCCCCCCOC(=O)CCNC(=O)c1ccc(CC)cc1.
What is the InChIKey of undecyl 3-[(4-ethylbenzoyl)amino]propanoate?
The InChIKey is NRHZFUKTDNXZBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H37NO3/c1-3-5-6-7-8-9-10-11-12-19-27-22(25)17-18-24-23(26)21-15-13-20(4-2)14-16-21/h13-16H,3-12,17-19H2,1-2H3,(H,24,26).
What are the key properties of undecyl 3-[(4-ethylbenzoyl)amino]propanoate?
undecyl 3-[(4-ethylbenzoyl)amino]propanoate has a molecular weight of 375.55 g/mol, XLogP of 5.44, 15 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for undecyl 3-[(4-ethylbenzoyl)amino]propanoate is sourced from PubChem (CID 91714756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).