4-amino-3-[2-(2-methoxyethylamino)-2-oxoethoxy]-N-prop-2-enylbenzamide

C15H21N3O4 — CID 93216570

IUPAC4-amino-3-[2-(2-methoxyethylamino)-2-oxoethoxy]-N-prop-2-enylbenzamide
SMILESC=CCNC(=O)c1ccc(N)c(OCC(=O)NCCOC)c1
InChIInChI=1S/C15H21N3O4/c1-3-6-18-15(20)11-4-5-12(16)13(9-11)22-10-14(19)17-7-8-21-2/h3-5,9H,1,6-8,10,16H2,2H3,(H,17,19)(H,18,20)
InChIKeyJWCYXQXVXNANIR-UHFFFAOYSA-N
MW307.35 g/mol
LogP0.33
Rot. Bonds9

About 4-amino-3-[2-(2-methoxyethylamino)-2-oxoethoxy]-N-prop-2-enylbenzamide

4-amino-3-[2-(2-methoxyethylamino)-2-oxoethoxy]-N-prop-2-enylbenzamide (PubChem CID 93216570) has the molecular formula C15H21N3O4 and a molecular weight of 307.35 g/mol. Its IUPAC name is 4-amino-3-[2-(2-methoxyethylamino)-2-oxoethoxy]-N-prop-2-enylbenzamide.

Molecular Properties

Compound Name4-amino-3-[2-(2-methoxyethylamino)-2-oxoethoxy]-N-prop-2-enylbenzamide
PubChem CID93216570
Molecular FormulaC15H21N3O4
Molecular Weight307.35 g/mol
Exact Mass307.15
IUPAC Name4-amino-3-[2-(2-methoxyethylamino)-2-oxoethoxy]-N-prop-2-enylbenzamide
SMILESC=CCNC(=O)c1ccc(N)c(OCC(=O)NCCOC)c1
InChIInChI=1S/C15H21N3O4/c1-3-6-18-15(20)11-4-5-12(16)13(9-11)22-10-14(19)17-7-8-21-2/h3-5,9H,1,6-8,10,16H2,2H3,(H,17,19)(H,18,20)
InChIKeyJWCYXQXVXNANIR-UHFFFAOYSA-N
XLogP0.33
TPSA102.68 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 50.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 4-amino-3-[2-(2-methoxyethylamino)-2-oxoethoxy]-N-prop-2-enylbenzamide 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

3-amino-N-(2-methoxyethyl)-4-[2-oxo-2-(propylamino)ethoxy]benzamide
CID 93216837
4-amino-3-(2-oxo-2-pyrrolidin-1-ylethoxy)-N-prop-2-enylbenzamide
CID 82069703
2-(2-amino-4-formylphenoxy)-N-(2-methoxyethyl)acetamide
CID 82057058
3-bromo-4-(2-methoxyethoxy)-N-prop-2-enylbenzamide
CID 15943188
2-[4-bromo-2-[(2-methoxyethylamino)methyl]phenoxy]-N-prop-2-enylacetamide
CID 63058368
N-(2-methoxyethyl)-2-(2-prop-2-enylphenoxy)acetamide
CID 2072678
4-amino-3-[2-(butylamino)-2-oxoethoxy]-N-propan-2-ylbenzamide
CID 93216573
4-amino-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-prop-2-enylbenzamide
CID 82070037
4-amino-N-butyl-3-[2-(methylamino)-2-oxoethoxy]benzamide
CID 82070083
2-[2-[(2-methoxyethylamino)methyl]-4-methylphenoxy]-N-prop-2-enylacetamide
CID 63324753
4-fluoro-3-methoxy-N-prop-2-enylbenzamide
CID 80948629
N-(2-acetamidoethyl)-4-amino-3-(2-methylprop-2-enoxy)benzamide
CID 82070052

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-[2-(2-methoxyethylamino)-2-oxoethoxy]-N-prop-2-enylbenzamide?
The IUPAC name of 4-amino-3-[2-(2-methoxyethylamino)-2-oxoethoxy]-N-prop-2-enylbenzamide (CID 93216570) is 4-amino-3-[2-(2-methoxyethylamino)-2-oxoethoxy]-N-prop-2-enylbenzamide.
What is the SMILES notation for 4-amino-3-[2-(2-methoxyethylamino)-2-oxoethoxy]-N-prop-2-enylbenzamide?
The canonical SMILES for 4-amino-3-[2-(2-methoxyethylamino)-2-oxoethoxy]-N-prop-2-enylbenzamide is C=CCNC(=O)c1ccc(N)c(OCC(=O)NCCOC)c1.
What is the InChIKey of 4-amino-3-[2-(2-methoxyethylamino)-2-oxoethoxy]-N-prop-2-enylbenzamide?
The InChIKey is JWCYXQXVXNANIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O4/c1-3-6-18-15(20)11-4-5-12(16)13(9-11)22-10-14(19)17-7-8-21-2/h3-5,9H,1,6-8,10,16H2,2H3,(H,17,19)(H,18,20).
What are the key properties of 4-amino-3-[2-(2-methoxyethylamino)-2-oxoethoxy]-N-prop-2-enylbenzamide?
4-amino-3-[2-(2-methoxyethylamino)-2-oxoethoxy]-N-prop-2-enylbenzamide has a molecular weight of 307.35 g/mol, XLogP of 0.33, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-[2-(2-methoxyethylamino)-2-oxoethoxy]-N-prop-2-enylbenzamide is sourced from PubChem (CID 93216570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).