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

C20H19NO5 — CID 4768649

IUPAC2-benzamido-3-(3-methoxy-4-prop-2-enoxyphenyl)prop-2-enoic acid
SMILESC=CCOc1ccc(C=C(NC(=O)c2ccccc2)C(=O)O)cc1OC
InChIInChI=1S/C20H19NO5/c1-3-11-26-17-10-9-14(13-18(17)25-2)12-16(20(23)24)21-19(22)15-7-5-4-6-8-15/h3-10,12-13H,1,11H2,2H3,(H,21,22)(H,23,24)
InChIKeyZACMRAWKZDLQET-UHFFFAOYSA-N
MW353.37 g/mol
LogP3.12
Rot. Bonds8

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

2-benzamido-3-(3-methoxy-4-prop-2-enoxyphenyl)prop-2-enoic acid (PubChem CID 4768649) has the molecular formula C20H19NO5 and a molecular weight of 353.37 g/mol. Its IUPAC name is 2-benzamido-3-(3-methoxy-4-prop-2-enoxyphenyl)prop-2-enoic acid.

Molecular Properties

Compound Name2-benzamido-3-(3-methoxy-4-prop-2-enoxyphenyl)prop-2-enoic acid
PubChem CID4768649
Molecular FormulaC20H19NO5
Molecular Weight353.37 g/mol
Exact Mass353.13
IUPAC Name2-benzamido-3-(3-methoxy-4-prop-2-enoxyphenyl)prop-2-enoic acid
SMILESC=CCOc1ccc(C=C(NC(=O)c2ccccc2)C(=O)O)cc1OC
InChIInChI=1S/C20H19NO5/c1-3-11-26-17-10-9-14(13-18(17)25-2)12-16(20(23)24)21-19(22)15-7-5-4-6-8-15/h3-10,12-13H,1,11H2,2H3,(H,21,22)(H,23,24)
InChIKeyZACMRAWKZDLQET-UHFFFAOYSA-N
XLogP3.12
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.37
LogP ≤ 53.12
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-acetamido-3-(4-methoxy-3-prop-2-enoxyphenyl)prop-2-enoic acid
CID 4768018
2-benzamido-3-[4-[(3-iodophenyl)methoxy]-3-methoxyphenyl]prop-2-enoic acid
CID 4769049
2-benzamido-3-[4-[(3-fluorophenyl)methoxy]-3-methoxyphenyl]prop-2-enoic acid
CID 4768835
N-[1-(3,4-dimethoxyphenyl)-3-(ethylamino)-3-oxoprop-1-en-2-yl]benzamide
CID 3841922
(E)-2-benzamido-3-(3-methoxy-4-phenylmethoxyphenyl)-3-tritioprop-2-enoic acid
CID 15450009
3-(3-methoxy-4-prop-2-enoxyphenyl)-1-phenylprop-2-en-1-one
CID 75849735
(E)-2-benzamido-3-(3-chloro-4-hydroxy-5-methoxyphenyl)prop-2-enoic acid
CID 6209896
(E)-2-[(4-chlorobenzoyl)amino]-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoic acid
CID 7137602
2-benzamido-3-(3-chloro-5-methoxy-4-phenylmethoxyphenyl)prop-2-enoic acid
CID 4772635
(E)-2-benzamido-3-[4-[(2-bromophenyl)methoxy]-3-ethoxyphenyl]prop-2-enoic acid
CID 6210094
N-[1-(3,4-dimethoxyphenyl)-3-(4-iodoanilino)-3-oxoprop-1-en-2-yl]benzamide
CID 2840240
N-[3-(3-acetylanilino)-1-(3,4-dimethoxyphenyl)-3-oxoprop-1-en-2-yl]benzamide
CID 1118396

Frequently Asked Questions

What is the IUPAC name of 2-benzamido-3-(3-methoxy-4-prop-2-enoxyphenyl)prop-2-enoic acid?
The IUPAC name of 2-benzamido-3-(3-methoxy-4-prop-2-enoxyphenyl)prop-2-enoic acid (CID 4768649) is 2-benzamido-3-(3-methoxy-4-prop-2-enoxyphenyl)prop-2-enoic acid.
What is the SMILES notation for 2-benzamido-3-(3-methoxy-4-prop-2-enoxyphenyl)prop-2-enoic acid?
The canonical SMILES for 2-benzamido-3-(3-methoxy-4-prop-2-enoxyphenyl)prop-2-enoic acid is C=CCOc1ccc(C=C(NC(=O)c2ccccc2)C(=O)O)cc1OC.
What is the InChIKey of 2-benzamido-3-(3-methoxy-4-prop-2-enoxyphenyl)prop-2-enoic acid?
The InChIKey is ZACMRAWKZDLQET-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19NO5/c1-3-11-26-17-10-9-14(13-18(17)25-2)12-16(20(23)24)21-19(22)15-7-5-4-6-8-15/h3-10,12-13H,1,11H2,2H3,(H,21,22)(H,23,24).
What are the key properties of 2-benzamido-3-(3-methoxy-4-prop-2-enoxyphenyl)prop-2-enoic acid?
2-benzamido-3-(3-methoxy-4-prop-2-enoxyphenyl)prop-2-enoic acid has a molecular weight of 353.37 g/mol, XLogP of 3.12, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzamido-3-(3-methoxy-4-prop-2-enoxyphenyl)prop-2-enoic acid is sourced from PubChem (CID 4768649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).