5-[(2-phenylbenzoyl)amino]pentyl prop-2-enoate

C21H23NO3 — CID 171768588

IUPAC5-[(2-phenylbenzoyl)amino]pentyl prop-2-enoate
SMILESC=CC(=O)OCCCCCNC(=O)c1ccccc1-c1ccccc1
InChIInChI=1S/C21H23NO3/c1-2-20(23)25-16-10-4-9-15-22-21(24)19-14-8-7-13-18(19)17-11-5-3-6-12-17/h2-3,5-8,11-14H,1,4,9-10,15-16H2,(H,22,24)
InChIKeyMCJIEMCDOFYOLY-UHFFFAOYSA-N
MW337.42 g/mol
LogP3.98
Rot. Bonds9

About 5-[(2-phenylbenzoyl)amino]pentyl prop-2-enoate

5-[(2-phenylbenzoyl)amino]pentyl prop-2-enoate (PubChem CID 171768588) has the molecular formula C21H23NO3 and a molecular weight of 337.42 g/mol. Its IUPAC name is 5-[(2-phenylbenzoyl)amino]pentyl prop-2-enoate.

Molecular Properties

Compound Name5-[(2-phenylbenzoyl)amino]pentyl prop-2-enoate
PubChem CID171768588
Molecular FormulaC21H23NO3
Molecular Weight337.42 g/mol
Exact Mass337.17
IUPAC Name5-[(2-phenylbenzoyl)amino]pentyl prop-2-enoate
SMILESC=CC(=O)OCCCCCNC(=O)c1ccccc1-c1ccccc1
InChIInChI=1S/C21H23NO3/c1-2-20(23)25-16-10-4-9-15-22-21(24)19-14-8-7-13-18(19)17-11-5-3-6-12-17/h2-3,5-8,11-14H,1,4,9-10,15-16H2,(H,22,24)
InChIKeyMCJIEMCDOFYOLY-UHFFFAOYSA-N
XLogP3.98
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 5-[(2-phenylbenzoyl)amino]pentyl prop-2-enoate 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

N-[3-(2-hydroxyethoxy)propyl]-2-phenylbenzamide
CID 110022367
N-butyl-2-phenylbenzamide
CID 21064565
bis(25-prop-2-enoyloxypentacosyl) benzene-1,2-dicarboxylate
CID 101299992
bis(37-prop-2-enoyloxyheptatriacontyl) benzene-1,2-dicarboxylate
CID 101300004
4-(4-phenylphenyl)butyl prop-2-enoate
CID 171768287
5-(4-phenylphenyl)sulfanylpentyl prop-2-enoate
CID 118222523
6-(2-benzoylphenoxy)hexyl prop-2-enoate
CID 172762769
phthalic acid;2-prop-2-enoyloxyethyl prop-2-enoate
CID 162086806
[2-phenyl-6-(6-prop-2-enoyloxyhexoxy)phenyl] benzoate
CID 139987175
7-(2-phenylpyrimidin-5-yl)oxyheptyl prop-2-enoate
CID 140977152
8-prop-2-enoyloxyoctyl prop-2-enoate
CID 12934232
4-prop-2-enoyloxybutyl prop-2-enoate;6-prop-2-enoyloxyhexyl prop-2-enoate
CID 158256375

Frequently Asked Questions

What is the IUPAC name of 5-[(2-phenylbenzoyl)amino]pentyl prop-2-enoate?
The IUPAC name of 5-[(2-phenylbenzoyl)amino]pentyl prop-2-enoate (CID 171768588) is 5-[(2-phenylbenzoyl)amino]pentyl prop-2-enoate.
What is the SMILES notation for 5-[(2-phenylbenzoyl)amino]pentyl prop-2-enoate?
The canonical SMILES for 5-[(2-phenylbenzoyl)amino]pentyl prop-2-enoate is C=CC(=O)OCCCCCNC(=O)c1ccccc1-c1ccccc1.
What is the InChIKey of 5-[(2-phenylbenzoyl)amino]pentyl prop-2-enoate?
The InChIKey is MCJIEMCDOFYOLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23NO3/c1-2-20(23)25-16-10-4-9-15-22-21(24)19-14-8-7-13-18(19)17-11-5-3-6-12-17/h2-3,5-8,11-14H,1,4,9-10,15-16H2,(H,22,24).
What are the key properties of 5-[(2-phenylbenzoyl)amino]pentyl prop-2-enoate?
5-[(2-phenylbenzoyl)amino]pentyl prop-2-enoate has a molecular weight of 337.42 g/mol, XLogP of 3.98, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-phenylbenzoyl)amino]pentyl prop-2-enoate is sourced from PubChem (CID 171768588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).