2-[[2-(3-ethylphenoxy)acetyl]amino]-N-prop-2-enylbenzamide

C20H22N2O3 — CID 18158413

IUPAC2-[[2-(3-ethylphenoxy)acetyl]amino]-N-prop-2-enylbenzamide
SMILESC=CCNC(=O)c1ccccc1NC(=O)COc1cccc(CC)c1
InChIInChI=1S/C20H22N2O3/c1-3-12-21-20(24)17-10-5-6-11-18(17)22-19(23)14-25-16-9-7-8-15(4-2)13-16/h3,5-11,13H,1,4,12,14H2,2H3,(H,21,24)(H,22,23)
InChIKeyJZSPEVRDXVQSIS-UHFFFAOYSA-N
MW338.41 g/mol
LogP3.18
Rot. Bonds8

About 2-[[2-(3-ethylphenoxy)acetyl]amino]-N-prop-2-enylbenzamide

2-[[2-(3-ethylphenoxy)acetyl]amino]-N-prop-2-enylbenzamide (PubChem CID 18158413) has the molecular formula C20H22N2O3 and a molecular weight of 338.41 g/mol. Its IUPAC name is 2-[[2-(3-ethylphenoxy)acetyl]amino]-N-prop-2-enylbenzamide.

Molecular Properties

Compound Name2-[[2-(3-ethylphenoxy)acetyl]amino]-N-prop-2-enylbenzamide
PubChem CID18158413
Molecular FormulaC20H22N2O3
Molecular Weight338.41 g/mol
Exact Mass338.16
IUPAC Name2-[[2-(3-ethylphenoxy)acetyl]amino]-N-prop-2-enylbenzamide
SMILESC=CCNC(=O)c1ccccc1NC(=O)COc1cccc(CC)c1
InChIInChI=1S/C20H22N2O3/c1-3-12-21-20(24)17-10-5-6-11-18(17)22-19(23)14-25-16-9-7-8-15(4-2)13-16/h3,5-11,13H,1,4,12,14H2,2H3,(H,21,24)(H,22,23)
InChIKeyJZSPEVRDXVQSIS-UHFFFAOYSA-N
XLogP3.18
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[[2-(3-fluorophenoxy)acetyl]amino]-N-prop-2-enylbenzamide
CID 18158401
2-(3-ethylphenoxy)-N-prop-2-enylacetamide
CID 19177242
2-[(2-naphthalen-2-yloxyacetyl)amino]-N-prop-2-enylbenzamide
CID 4932273
N-(2-tert-butylphenyl)-2-(3-ethylphenoxy)acetamide
CID 7920123
2-[(2-phenylacetyl)amino]-N-prop-2-enylbenzamide
CID 3915249
2-(butanoylamino)-N-prop-2-enylbenzamide
CID 4932304
2-[[2-(3-methylphenoxy)acetyl]amino]-N-propylbenzamide
CID 4945928
2-(3-ethylphenoxy)-N-(4-hydroxyphenyl)acetamide
CID 51186827
2-[3-(ethylaminomethyl)phenoxy]-N-prop-2-enylacetamide
CID 60882038
2-[[2-(2-bromo-4-chlorophenoxy)acetyl]amino]-N-prop-2-enylbenzamide
CID 4932228
N-(2-methoxyethyl)-2-[[2-(3-methoxyphenoxy)acetyl]amino]benzamide
CID 94595466
2-(3-ethylphenoxy)-N'-methylacetohydrazide
CID 116820670

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(3-ethylphenoxy)acetyl]amino]-N-prop-2-enylbenzamide?
The IUPAC name of 2-[[2-(3-ethylphenoxy)acetyl]amino]-N-prop-2-enylbenzamide (CID 18158413) is 2-[[2-(3-ethylphenoxy)acetyl]amino]-N-prop-2-enylbenzamide.
What is the SMILES notation for 2-[[2-(3-ethylphenoxy)acetyl]amino]-N-prop-2-enylbenzamide?
The canonical SMILES for 2-[[2-(3-ethylphenoxy)acetyl]amino]-N-prop-2-enylbenzamide is C=CCNC(=O)c1ccccc1NC(=O)COc1cccc(CC)c1.
What is the InChIKey of 2-[[2-(3-ethylphenoxy)acetyl]amino]-N-prop-2-enylbenzamide?
The InChIKey is JZSPEVRDXVQSIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O3/c1-3-12-21-20(24)17-10-5-6-11-18(17)22-19(23)14-25-16-9-7-8-15(4-2)13-16/h3,5-11,13H,1,4,12,14H2,2H3,(H,21,24)(H,22,23).
What are the key properties of 2-[[2-(3-ethylphenoxy)acetyl]amino]-N-prop-2-enylbenzamide?
2-[[2-(3-ethylphenoxy)acetyl]amino]-N-prop-2-enylbenzamide has a molecular weight of 338.41 g/mol, XLogP of 3.18, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(3-ethylphenoxy)acetyl]amino]-N-prop-2-enylbenzamide is sourced from PubChem (CID 18158413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).