2-acetamido-3-(3,4,5-trimethoxyphenyl)prop-2-enoic acid

C14H17NO6 — CID 2740034

IUPAC2-acetamido-3-(3,4,5-trimethoxyphenyl)prop-2-enoic acid
SMILESCOc1cc(C=C(NC(C)=O)C(=O)O)cc(OC)c1OC
InChIInChI=1S/C14H17NO6/c1-8(16)15-10(14(17)18)5-9-6-11(19-2)13(21-4)12(7-9)20-3/h5-7H,1-4H3,(H,15,16)(H,17,18)
InChIKeyGYSVZYOQLKZIHA-UHFFFAOYSA-N
MW295.29 g/mol
LogP1.27
Rot. Bonds6

About 2-acetamido-3-(3,4,5-trimethoxyphenyl)prop-2-enoic acid

2-acetamido-3-(3,4,5-trimethoxyphenyl)prop-2-enoic acid (PubChem CID 2740034) has the molecular formula C14H17NO6 and a molecular weight of 295.29 g/mol. Its IUPAC name is 2-acetamido-3-(3,4,5-trimethoxyphenyl)prop-2-enoic acid.

Molecular Properties

Compound Name2-acetamido-3-(3,4,5-trimethoxyphenyl)prop-2-enoic acid
PubChem CID2740034
Molecular FormulaC14H17NO6
Molecular Weight295.29 g/mol
Exact Mass295.11
IUPAC Name2-acetamido-3-(3,4,5-trimethoxyphenyl)prop-2-enoic acid
SMILESCOc1cc(C=C(NC(C)=O)C(=O)O)cc(OC)c1OC
InChIInChI=1S/C14H17NO6/c1-8(16)15-10(14(17)18)5-9-6-11(19-2)13(21-4)12(7-9)20-3/h5-7H,1-4H3,(H,15,16)(H,17,18)
InChIKeyGYSVZYOQLKZIHA-UHFFFAOYSA-N
XLogP1.27
TPSA94.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.29
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-acetamido-3-(3,4,5-trimethoxyphenyl)prop-2-enoic acid 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

2-acetamido-3-(3-chloro-5-methoxy-4-propan-2-yloxyphenyl)prop-2-enoic acid
CID 4768500
(E)-2-[(4-methylbenzoyl)amino]-3-(3,4,5-trimethoxyphenyl)prop-2-enoic acid
CID 2282303
(Z)-2-acetamido-3-(3-methoxy-4-propan-2-yloxyphenyl)prop-2-enoic acid
CID 54848084
(E)-2-acetamido-3-[3-bromo-4-[(4-bromophenyl)methoxy]-5-methoxyphenyl]prop-2-enoic acid
CID 6210607
2-acetamido-3-[3-iodo-5-methoxy-4-(2-phenylethoxy)phenyl]prop-2-enoic acid
CID 4772628
(E)-2-acetamido-3-[3-bromo-5-methoxy-4-[(4-methylphenyl)methoxy]phenyl]prop-2-enoic acid
CID 6209607
(E)-2-acetamido-3-[3-bromo-4-[(4-iodophenyl)methoxy]-5-methoxyphenyl]prop-2-enoic acid
CID 6209725
2-acetamido-3-(4-methoxy-3-prop-2-enoxyphenyl)prop-2-enoic acid
CID 4768018
2-acetamido-3-[3-bromo-5-methoxy-4-[(2-methylphenyl)methoxy]phenyl]prop-2-enoic acid
CID 4768072
2-acetamido-3-[3-iodo-5-methoxy-4-[(2-methylphenyl)methoxy]phenyl]prop-2-enoic acid
CID 4768073
(E)-2-acetamido-3-[3-bromo-4-[(2-fluorophenyl)methoxy]-5-methoxyphenyl]prop-2-enoic acid
CID 6209641
(E)-2-acetamido-3-[3-chloro-4-[(2-iodophenyl)methoxy]-5-methoxyphenyl]prop-2-enoic acid
CID 6210619

Frequently Asked Questions

What is the IUPAC name of 2-acetamido-3-(3,4,5-trimethoxyphenyl)prop-2-enoic acid?
The IUPAC name of 2-acetamido-3-(3,4,5-trimethoxyphenyl)prop-2-enoic acid (CID 2740034) is 2-acetamido-3-(3,4,5-trimethoxyphenyl)prop-2-enoic acid.
What is the SMILES notation for 2-acetamido-3-(3,4,5-trimethoxyphenyl)prop-2-enoic acid?
The canonical SMILES for 2-acetamido-3-(3,4,5-trimethoxyphenyl)prop-2-enoic acid is COc1cc(C=C(NC(C)=O)C(=O)O)cc(OC)c1OC.
What is the InChIKey of 2-acetamido-3-(3,4,5-trimethoxyphenyl)prop-2-enoic acid?
The InChIKey is GYSVZYOQLKZIHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO6/c1-8(16)15-10(14(17)18)5-9-6-11(19-2)13(21-4)12(7-9)20-3/h5-7H,1-4H3,(H,15,16)(H,17,18).
What are the key properties of 2-acetamido-3-(3,4,5-trimethoxyphenyl)prop-2-enoic acid?
2-acetamido-3-(3,4,5-trimethoxyphenyl)prop-2-enoic acid has a molecular weight of 295.29 g/mol, XLogP of 1.27, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-3-(3,4,5-trimethoxyphenyl)prop-2-enoic acid is sourced from PubChem (CID 2740034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).