2-acetamido-3-(4-methoxy-3-prop-2-enoxyphenyl)prop-2-enoic acid

C15H17NO5 — CID 4768018

IUPAC2-acetamido-3-(4-methoxy-3-prop-2-enoxyphenyl)prop-2-enoic acid
SMILESC=CCOc1cc(C=C(NC(C)=O)C(=O)O)ccc1OC
InChIInChI=1S/C15H17NO5/c1-4-7-21-14-9-11(5-6-13(14)20-3)8-12(15(18)19)16-10(2)17/h4-6,8-9H,1,7H2,2-3H3,(H,16,17)(H,18,19)
InChIKeyGMRJBBIUCLWGOA-UHFFFAOYSA-N
MW291.30 g/mol
LogP1.82
Rot. Bonds7

About 2-acetamido-3-(4-methoxy-3-prop-2-enoxyphenyl)prop-2-enoic acid

2-acetamido-3-(4-methoxy-3-prop-2-enoxyphenyl)prop-2-enoic acid (PubChem CID 4768018) has the molecular formula C15H17NO5 and a molecular weight of 291.30 g/mol. Its IUPAC name is 2-acetamido-3-(4-methoxy-3-prop-2-enoxyphenyl)prop-2-enoic acid.

Molecular Properties

Compound Name2-acetamido-3-(4-methoxy-3-prop-2-enoxyphenyl)prop-2-enoic acid
PubChem CID4768018
Molecular FormulaC15H17NO5
Molecular Weight291.30 g/mol
Exact Mass291.11
IUPAC Name2-acetamido-3-(4-methoxy-3-prop-2-enoxyphenyl)prop-2-enoic acid
SMILESC=CCOc1cc(C=C(NC(C)=O)C(=O)O)ccc1OC
InChIInChI=1S/C15H17NO5/c1-4-7-21-14-9-11(5-6-13(14)20-3)8-12(15(18)19)16-10(2)17/h4-6,8-9H,1,7H2,2-3H3,(H,16,17)(H,18,19)
InChIKeyGMRJBBIUCLWGOA-UHFFFAOYSA-N
XLogP1.82
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.30
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-benzamido-3-(3-methoxy-4-prop-2-enoxyphenyl)prop-2-enoic acid
CID 4768649
(Z)-2-acetamido-3-(3-methoxy-4-propan-2-yloxyphenyl)prop-2-enoic acid
CID 54848084
2-acetamido-3-(3,4,5-trimethoxyphenyl)prop-2-enoic acid
CID 2740034
2-acetamido-3-[4-[(3-bromophenyl)methoxy]-3-methoxyphenyl]prop-2-enoic acid
CID 4768267
(E)-2-acetamido-3-(2-methoxy-4-pyridinyl)prop-2-enoic acid
CID 104831016
(E)-2-acetamido-3-[3-ethoxy-4-[(4-methylphenyl)methoxy]phenyl]prop-2-enoic acid
CID 6209603
(E)-3-(4-hydroxy-3-prop-2-enoxyphenyl)-2-methylprop-2-enoic acid
CID 10444014
3-(3-methoxy-4-prop-2-enoxyphenyl)-2-methylprop-2-en-1-ol
CID 79334099
3-(3-methoxy-4-prop-2-enoxyphenyl)-1-phenylprop-2-en-1-one
CID 75849735
2-acetamido-3-(3,4-dimethoxyphenyl)-N-(2-methoxyethyl)prop-2-enamide
CID 4925589
(Z)-2-acetamido-3-(3,4-dimethoxyphenyl)-N,N-dipropylprop-2-enamide
CID 23013629
3-(4-methoxy-3-propoxyphenyl)-2-methylprop-2-enoic acid
CID 79726677

Frequently Asked Questions

What is the IUPAC name of 2-acetamido-3-(4-methoxy-3-prop-2-enoxyphenyl)prop-2-enoic acid?
The IUPAC name of 2-acetamido-3-(4-methoxy-3-prop-2-enoxyphenyl)prop-2-enoic acid (CID 4768018) is 2-acetamido-3-(4-methoxy-3-prop-2-enoxyphenyl)prop-2-enoic acid.
What is the SMILES notation for 2-acetamido-3-(4-methoxy-3-prop-2-enoxyphenyl)prop-2-enoic acid?
The canonical SMILES for 2-acetamido-3-(4-methoxy-3-prop-2-enoxyphenyl)prop-2-enoic acid is C=CCOc1cc(C=C(NC(C)=O)C(=O)O)ccc1OC.
What is the InChIKey of 2-acetamido-3-(4-methoxy-3-prop-2-enoxyphenyl)prop-2-enoic acid?
The InChIKey is GMRJBBIUCLWGOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO5/c1-4-7-21-14-9-11(5-6-13(14)20-3)8-12(15(18)19)16-10(2)17/h4-6,8-9H,1,7H2,2-3H3,(H,16,17)(H,18,19).
What are the key properties of 2-acetamido-3-(4-methoxy-3-prop-2-enoxyphenyl)prop-2-enoic acid?
2-acetamido-3-(4-methoxy-3-prop-2-enoxyphenyl)prop-2-enoic acid has a molecular weight of 291.30 g/mol, XLogP of 1.82, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-3-(4-methoxy-3-prop-2-enoxyphenyl)prop-2-enoic acid is sourced from PubChem (CID 4768018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).