prop-2-enyl 4-[(4-amino-2-prop-2-enoxybenzoyl)amino]-2-prop-2-enoxybenzoate

C23H24N2O5 — CID 153496258

IUPACprop-2-enyl 4-[(4-amino-2-prop-2-enoxybenzoyl)amino]-2-prop-2-enoxybenzoate
SMILESC=CCOC(=O)c1ccc(NC(=O)c2ccc(N)cc2OCC=C)cc1OCC=C
InChIInChI=1S/C23H24N2O5/c1-4-11-28-20-14-16(24)7-9-18(20)22(26)25-17-8-10-19(23(27)30-13-6-3)21(15-17)29-12-5-2/h4-10,14-15H,1-3,11-13,24H2,(H,25,26)
InChIKeyWJWSULLEULTGMD-UHFFFAOYSA-N
MW408.45 g/mol
LogP3.99
Rot. Bonds11

About prop-2-enyl 4-[(4-amino-2-prop-2-enoxybenzoyl)amino]-2-prop-2-enoxybenzoate

prop-2-enyl 4-[(4-amino-2-prop-2-enoxybenzoyl)amino]-2-prop-2-enoxybenzoate (PubChem CID 153496258) has the molecular formula C23H24N2O5 and a molecular weight of 408.45 g/mol. Its IUPAC name is prop-2-enyl 4-[(4-amino-2-prop-2-enoxybenzoyl)amino]-2-prop-2-enoxybenzoate.

Molecular Properties

Compound Nameprop-2-enyl 4-[(4-amino-2-prop-2-enoxybenzoyl)amino]-2-prop-2-enoxybenzoate
PubChem CID153496258
Molecular FormulaC23H24N2O5
Molecular Weight408.45 g/mol
Exact Mass408.17
IUPAC Nameprop-2-enyl 4-[(4-amino-2-prop-2-enoxybenzoyl)amino]-2-prop-2-enoxybenzoate
SMILESC=CCOC(=O)c1ccc(NC(=O)c2ccc(N)cc2OCC=C)cc1OCC=C
InChIInChI=1S/C23H24N2O5/c1-4-11-28-20-14-16(24)7-9-18(20)22(26)25-17-8-10-19(23(27)30-13-6-3)21(15-17)29-12-5-2/h4-10,14-15H,1-3,11-13,24H2,(H,25,26)
InChIKeyWJWSULLEULTGMD-UHFFFAOYSA-N
XLogP3.99
TPSA99.88 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.45
LogP ≤ 53.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of prop-2-enyl 4-[(4-amino-2-prop-2-enoxybenzoyl)amino]-2-prop-2-enoxybenzoate?
The IUPAC name of prop-2-enyl 4-[(4-amino-2-prop-2-enoxybenzoyl)amino]-2-prop-2-enoxybenzoate (CID 153496258) is prop-2-enyl 4-[(4-amino-2-prop-2-enoxybenzoyl)amino]-2-prop-2-enoxybenzoate.
What is the SMILES notation for prop-2-enyl 4-[(4-amino-2-prop-2-enoxybenzoyl)amino]-2-prop-2-enoxybenzoate?
The canonical SMILES for prop-2-enyl 4-[(4-amino-2-prop-2-enoxybenzoyl)amino]-2-prop-2-enoxybenzoate is C=CCOC(=O)c1ccc(NC(=O)c2ccc(N)cc2OCC=C)cc1OCC=C.
What is the InChIKey of prop-2-enyl 4-[(4-amino-2-prop-2-enoxybenzoyl)amino]-2-prop-2-enoxybenzoate?
The InChIKey is WJWSULLEULTGMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O5/c1-4-11-28-20-14-16(24)7-9-18(20)22(26)25-17-8-10-19(23(27)30-13-6-3)21(15-17)29-12-5-2/h4-10,14-15H,1-3,11-13,24H2,(H,25,26).
What are the key properties of prop-2-enyl 4-[(4-amino-2-prop-2-enoxybenzoyl)amino]-2-prop-2-enoxybenzoate?
prop-2-enyl 4-[(4-amino-2-prop-2-enoxybenzoyl)amino]-2-prop-2-enoxybenzoate has a molecular weight of 408.45 g/mol, XLogP of 3.99, 11 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-enyl 4-[(4-amino-2-prop-2-enoxybenzoyl)amino]-2-prop-2-enoxybenzoate is sourced from PubChem (CID 153496258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).