(4-acetamidophenyl) 3-(4-acetyloxy-3-methoxyphenyl)prop-2-enoate

C20H19NO6 — CID 68927471

IUPAC(4-acetamidophenyl) 3-(4-acetyloxy-3-methoxyphenyl)prop-2-enoate
SMILESCOc1cc(C=CC(=O)Oc2ccc(NC(C)=O)cc2)ccc1OC(C)=O
InChIInChI=1S/C20H19NO6/c1-13(22)21-16-6-8-17(9-7-16)27-20(24)11-5-15-4-10-18(26-14(2)23)19(12-15)25-3/h4-12H,1-3H3,(H,21,22)
InChIKeyDQOJDXFSZUNBQP-UHFFFAOYSA-N
MW369.37 g/mol
LogP3.20
Rot. Bonds6

About (4-acetamidophenyl) 3-(4-acetyloxy-3-methoxyphenyl)prop-2-enoate

(4-acetamidophenyl) 3-(4-acetyloxy-3-methoxyphenyl)prop-2-enoate (PubChem CID 68927471) has the molecular formula C20H19NO6 and a molecular weight of 369.37 g/mol. Its IUPAC name is (4-acetamidophenyl) 3-(4-acetyloxy-3-methoxyphenyl)prop-2-enoate.

Molecular Properties

Compound Name(4-acetamidophenyl) 3-(4-acetyloxy-3-methoxyphenyl)prop-2-enoate
PubChem CID68927471
Molecular FormulaC20H19NO6
Molecular Weight369.37 g/mol
Exact Mass369.12
IUPAC Name(4-acetamidophenyl) 3-(4-acetyloxy-3-methoxyphenyl)prop-2-enoate
SMILESCOc1cc(C=CC(=O)Oc2ccc(NC(C)=O)cc2)ccc1OC(C)=O
InChIInChI=1S/C20H19NO6/c1-13(22)21-16-6-8-17(9-7-16)27-20(24)11-5-15-4-10-18(26-14(2)23)19(12-15)25-3/h4-12H,1-3H3,(H,21,22)
InChIKeyDQOJDXFSZUNBQP-UHFFFAOYSA-N
XLogP3.20
TPSA90.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.37
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

[4-[3-(4-acetamidophenoxy)-3-oxoprop-1-enyl]-2-methoxyphenyl] pentanoate
CID 90989358
3-O-[4-[(1E,6E)-7-[4-[3-(4-acetamidophenoxy)-2-methyl-3-oxopropanoyl]oxy-3-methoxyphenyl]-3,5-dioxohepta-1,6-dienyl]-2-methoxyphenyl] 1-O-(4-acetamidophenyl) 2-methylpropanedioate
CID 134452434
[2-methoxy-4-[(E)-3-oxo-3-(4-sulfanylanilino)prop-1-enyl]phenyl] acetate
CID 129252363
N-[4-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]phenyl]acetamide
CID 141461725
(4-sulfanylphenyl) (E)-3-(3,4-diacetyloxyphenyl)prop-2-enoate
CID 129252386
(4-acetamidophenyl) (E)-3-(5-bromo-2-methoxyphenyl)prop-2-enoate
CID 26188034
(2-acetyl-3-methoxyphenyl) (E)-3-(4-acetyloxy-3-methoxyphenyl)prop-2-enoate
CID 71569085
[4-[(E)-3-chloro-3-oxoprop-1-enyl]-2-methoxyphenyl] acetate
CID 10858041
(4-propan-2-ylphenyl) (E)-3-(3,4-diacetyloxyphenyl)prop-2-enoate
CID 161158974
[2-methoxy-4-[(E)-prop-1-enyl]phenyl] (E)-3-(4-methoxyphenyl)prop-2-enoate
CID 152820667
[4-(pentafluoro-λ6-sulfanyl)phenyl] (E)-3-(3,4-diacetyloxyphenyl)prop-2-enoate
CID 118056185
[2-methoxy-4-[(E)-3-methoxy-3-oxoprop-1-enyl]phenyl] (E)-3-phenylprop-2-enoate
CID 36828005

Frequently Asked Questions

What is the IUPAC name of (4-acetamidophenyl) 3-(4-acetyloxy-3-methoxyphenyl)prop-2-enoate?
The IUPAC name of (4-acetamidophenyl) 3-(4-acetyloxy-3-methoxyphenyl)prop-2-enoate (CID 68927471) is (4-acetamidophenyl) 3-(4-acetyloxy-3-methoxyphenyl)prop-2-enoate.
What is the SMILES notation for (4-acetamidophenyl) 3-(4-acetyloxy-3-methoxyphenyl)prop-2-enoate?
The canonical SMILES for (4-acetamidophenyl) 3-(4-acetyloxy-3-methoxyphenyl)prop-2-enoate is COc1cc(C=CC(=O)Oc2ccc(NC(C)=O)cc2)ccc1OC(C)=O.
What is the InChIKey of (4-acetamidophenyl) 3-(4-acetyloxy-3-methoxyphenyl)prop-2-enoate?
The InChIKey is DQOJDXFSZUNBQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19NO6/c1-13(22)21-16-6-8-17(9-7-16)27-20(24)11-5-15-4-10-18(26-14(2)23)19(12-15)25-3/h4-12H,1-3H3,(H,21,22).
What are the key properties of (4-acetamidophenyl) 3-(4-acetyloxy-3-methoxyphenyl)prop-2-enoate?
(4-acetamidophenyl) 3-(4-acetyloxy-3-methoxyphenyl)prop-2-enoate has a molecular weight of 369.37 g/mol, XLogP of 3.20, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4-acetamidophenyl) 3-(4-acetyloxy-3-methoxyphenyl)prop-2-enoate is sourced from PubChem (CID 68927471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).