2-[(4-ethoxy-3-methoxybenzoyl)-prop-2-enylamino]acetic acid

C15H19NO5 — CID 79264534

IUPAC2-[(4-ethoxy-3-methoxybenzoyl)-prop-2-enylamino]acetic acid
SMILESC=CCN(CC(=O)O)C(=O)c1ccc(OCC)c(OC)c1
InChIInChI=1S/C15H19NO5/c1-4-8-16(10-14(17)18)15(19)11-6-7-12(21-5-2)13(9-11)20-3/h4,6-7,9H,1,5,8,10H2,2-3H3,(H,17,18)
InChIKeyNUQROOSPGONOTO-UHFFFAOYSA-N
MW293.32 g/mol
LogP1.81
Rot. Bonds8

About 2-[(4-ethoxy-3-methoxybenzoyl)-prop-2-enylamino]acetic acid

2-[(4-ethoxy-3-methoxybenzoyl)-prop-2-enylamino]acetic acid (PubChem CID 79264534) has the molecular formula C15H19NO5 and a molecular weight of 293.32 g/mol. Its IUPAC name is 2-[(4-ethoxy-3-methoxybenzoyl)-prop-2-enylamino]acetic acid.

Molecular Properties

Compound Name2-[(4-ethoxy-3-methoxybenzoyl)-prop-2-enylamino]acetic acid
PubChem CID79264534
Molecular FormulaC15H19NO5
Molecular Weight293.32 g/mol
Exact Mass293.13
IUPAC Name2-[(4-ethoxy-3-methoxybenzoyl)-prop-2-enylamino]acetic acid
SMILESC=CCN(CC(=O)O)C(=O)c1ccc(OCC)c(OC)c1
InChIInChI=1S/C15H19NO5/c1-4-8-16(10-14(17)18)15(19)11-6-7-12(21-5-2)13(9-11)20-3/h4,6-7,9H,1,5,8,10H2,2-3H3,(H,17,18)
InChIKeyNUQROOSPGONOTO-UHFFFAOYSA-N
XLogP1.81
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.32
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-ethoxy-3-methoxy-N-prop-2-enyl-N-(2,2,2-trifluoroethyl)benzamide
CID 51094536
3-methoxy-4-propan-2-yloxy-N,N-bis(prop-2-enyl)benzamide
CID 78784416
ethyl 2-[(4-fluoro-3-methoxybenzoyl)-prop-2-enylamino]acetate
CID 81013907
N-benzyl-3-methoxy-4-(2-methylpropoxy)-N-prop-2-enylbenzamide
CID 112819847
3,4-dimethoxy-N-prop-2-enyl-N-(2,2,2-trifluoroethyl)benzamide
CID 51094556
2-[ethyl-(3-methoxy-4-methylbenzoyl)amino]acetic acid
CID 54900774
2-[[4-(dimethylamino)benzoyl]-prop-2-enylamino]acetic acid
CID 79264539
2-[(3-methoxythiophene-2-carbonyl)-prop-2-enylamino]acetic acid
CID 81126707
2-[(3-bromobenzoyl)-prop-2-enylamino]acetic acid
CID 79263284
2-[benzoyl(prop-2-enyl)amino]acetic acid
CID 67991979
3-bromo-4-ethoxy-5-methoxy-N,N-bis(prop-2-enyl)benzamide
CID 94143951
2-[(3,4-dimethoxybenzoyl)-[(3,5-dimethoxyphenyl)methyl]amino]acetic acid
CID 119197682

Frequently Asked Questions

What is the IUPAC name of 2-[(4-ethoxy-3-methoxybenzoyl)-prop-2-enylamino]acetic acid?
The IUPAC name of 2-[(4-ethoxy-3-methoxybenzoyl)-prop-2-enylamino]acetic acid (CID 79264534) is 2-[(4-ethoxy-3-methoxybenzoyl)-prop-2-enylamino]acetic acid.
What is the SMILES notation for 2-[(4-ethoxy-3-methoxybenzoyl)-prop-2-enylamino]acetic acid?
The canonical SMILES for 2-[(4-ethoxy-3-methoxybenzoyl)-prop-2-enylamino]acetic acid is C=CCN(CC(=O)O)C(=O)c1ccc(OCC)c(OC)c1.
What is the InChIKey of 2-[(4-ethoxy-3-methoxybenzoyl)-prop-2-enylamino]acetic acid?
The InChIKey is NUQROOSPGONOTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO5/c1-4-8-16(10-14(17)18)15(19)11-6-7-12(21-5-2)13(9-11)20-3/h4,6-7,9H,1,5,8,10H2,2-3H3,(H,17,18).
What are the key properties of 2-[(4-ethoxy-3-methoxybenzoyl)-prop-2-enylamino]acetic acid?
2-[(4-ethoxy-3-methoxybenzoyl)-prop-2-enylamino]acetic acid has a molecular weight of 293.32 g/mol, XLogP of 1.81, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-ethoxy-3-methoxybenzoyl)-prop-2-enylamino]acetic acid is sourced from PubChem (CID 79264534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).