2-[3-(3,4-dihydroxyphenyl)propanoylamino]ethyl 2-methylprop-2-enoate

C15H19NO5 — CID 170552247

IUPAC2-[3-(3,4-dihydroxyphenyl)propanoylamino]ethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCNC(=O)CCc1ccc(O)c(O)c1
InChIInChI=1S/C15H19NO5/c1-10(2)15(20)21-8-7-16-14(19)6-4-11-3-5-12(17)13(18)9-11/h3,5,9,17-18H,1,4,6-8H2,2H3,(H,16,19)
InChIKeyVYQPECBSKGGBDG-UHFFFAOYSA-N
MW293.32 g/mol
LogP1.27
Rot. Bonds7

About 2-[3-(3,4-dihydroxyphenyl)propanoylamino]ethyl 2-methylprop-2-enoate

2-[3-(3,4-dihydroxyphenyl)propanoylamino]ethyl 2-methylprop-2-enoate (PubChem CID 170552247) has the molecular formula C15H19NO5 and a molecular weight of 293.32 g/mol. Its IUPAC name is 2-[3-(3,4-dihydroxyphenyl)propanoylamino]ethyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name2-[3-(3,4-dihydroxyphenyl)propanoylamino]ethyl 2-methylprop-2-enoate
PubChem CID170552247
Molecular FormulaC15H19NO5
Molecular Weight293.32 g/mol
Exact Mass293.13
IUPAC Name2-[3-(3,4-dihydroxyphenyl)propanoylamino]ethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCNC(=O)CCc1ccc(O)c(O)c1
InChIInChI=1S/C15H19NO5/c1-10(2)15(20)21-8-7-16-14(19)6-4-11-3-5-12(17)13(18)9-11/h3,5,9,17-18H,1,4,6-8H2,2H3,(H,16,19)
InChIKeyVYQPECBSKGGBDG-UHFFFAOYSA-N
XLogP1.27
TPSA95.86 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.32
LogP ≤ 51.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 2-[3-(3,4-dihydroxyphenyl)propanoylamino]ethyl 2-methylprop-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

4-(3,4-dihydroxyphenyl)butyl 2-methylprop-2-enoate
CID 167431322
8-(3,4-dihydroxyphenyl)octyl 2-methylprop-2-enoate
CID 177344511
N-[2-(3,4-dihydroxyphenyl)ethyl]-3-methoxypropanamide
CID 90161790
2-(2-methylprop-2-enoyloxy)ethyl 4-[2-(4-hydroxyphenyl)ethylamino]-4-oxobutanoate
CID 66598932
3-(3,4-dihydroxyphenyl)-N-methylpropanamide
CID 15132211
3-(3,4-dihydroxyphenyl)propanehydrazide
CID 3746537
3-methylbutyl 11-[3-(3,4-dihydroxyphenyl)propanoylamino]undecanoate
CID 118860312
2-[2-(4-methylphenyl)ethoxycarbonylamino]ethyl 2-methylprop-2-enoate
CID 58004900
2-(carbonochloridoylamino)ethyl 2-methylprop-2-enoate
CID 18000331
2-[3-(3-methylphenyl)propoxycarbonylamino]ethyl 2-methylprop-2-enoate
CID 130199618
N-[4-[3-aminopropyl-[3-(3,4-dihydroxyphenyl)propanoyl]amino]butyl]-3-(3,4-dihydroxyphenyl)propanamide
CID 101096520
2-[(4-ethylphenoxy)carbonylamino]ethyl 2-methylprop-2-enoate
CID 143902345

Frequently Asked Questions

What is the IUPAC name of 2-[3-(3,4-dihydroxyphenyl)propanoylamino]ethyl 2-methylprop-2-enoate?
The IUPAC name of 2-[3-(3,4-dihydroxyphenyl)propanoylamino]ethyl 2-methylprop-2-enoate (CID 170552247) is 2-[3-(3,4-dihydroxyphenyl)propanoylamino]ethyl 2-methylprop-2-enoate.
What is the SMILES notation for 2-[3-(3,4-dihydroxyphenyl)propanoylamino]ethyl 2-methylprop-2-enoate?
The canonical SMILES for 2-[3-(3,4-dihydroxyphenyl)propanoylamino]ethyl 2-methylprop-2-enoate is C=C(C)C(=O)OCCNC(=O)CCc1ccc(O)c(O)c1.
What is the InChIKey of 2-[3-(3,4-dihydroxyphenyl)propanoylamino]ethyl 2-methylprop-2-enoate?
The InChIKey is VYQPECBSKGGBDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO5/c1-10(2)15(20)21-8-7-16-14(19)6-4-11-3-5-12(17)13(18)9-11/h3,5,9,17-18H,1,4,6-8H2,2H3,(H,16,19).
What are the key properties of 2-[3-(3,4-dihydroxyphenyl)propanoylamino]ethyl 2-methylprop-2-enoate?
2-[3-(3,4-dihydroxyphenyl)propanoylamino]ethyl 2-methylprop-2-enoate has a molecular weight of 293.32 g/mol, XLogP of 1.27, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(3,4-dihydroxyphenyl)propanoylamino]ethyl 2-methylprop-2-enoate is sourced from PubChem (CID 170552247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).