ethyl 2-(3-ethoxyphenyl)-2-(prop-2-enylamino)acetate

C15H21NO3 — CID 62353489

IUPACethyl 2-(3-ethoxyphenyl)-2-(prop-2-enylamino)acetate
SMILESC=CCNC(C(=O)OCC)c1cccc(OCC)c1
InChIInChI=1S/C15H21NO3/c1-4-10-16-14(15(17)19-6-3)12-8-7-9-13(11-12)18-5-2/h4,7-9,11,14,16H,1,5-6,10H2,2-3H3
InChIKeyOFJAQZHHXVVRSN-UHFFFAOYSA-N
MW263.34 g/mol
LogP2.47
Rot. Bonds8

About ethyl 2-(3-ethoxyphenyl)-2-(prop-2-enylamino)acetate

ethyl 2-(3-ethoxyphenyl)-2-(prop-2-enylamino)acetate (PubChem CID 62353489) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is ethyl 2-(3-ethoxyphenyl)-2-(prop-2-enylamino)acetate.

Molecular Properties

Compound Nameethyl 2-(3-ethoxyphenyl)-2-(prop-2-enylamino)acetate
PubChem CID62353489
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC Nameethyl 2-(3-ethoxyphenyl)-2-(prop-2-enylamino)acetate
SMILESC=CCNC(C(=O)OCC)c1cccc(OCC)c1
InChIInChI=1S/C15H21NO3/c1-4-10-16-14(15(17)19-6-3)12-8-7-9-13(11-12)18-5-2/h4,7-9,11,14,16H,1,5-6,10H2,2-3H3
InChIKeyOFJAQZHHXVVRSN-UHFFFAOYSA-N
XLogP2.47
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 52.47
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

ethyl 2-(3-ethoxyphenyl)-2-(propylamino)acetate
CID 60874093
ethyl 2-(3-bromophenyl)-2-(prop-2-enylamino)acetate
CID 62352919
ethyl 2-(3,4-dimethylphenyl)-2-(prop-2-enylamino)acetate
CID 62352914
1-(3-ethoxyphenyl)-N-prop-2-enylethane-1,2-diamine
CID 65383447
ethyl 2-(prop-2-enylamino)-2-(4-propoxyphenyl)acetate
CID 62496644
ethyl 2-(3,4-dibromophenyl)-2-(prop-2-enylamino)acetate
CID 114077403
methyl 2-[2-(dimethylamino)ethylamino]-2-(3-ethoxyphenyl)acetate
CID 61001176
methyl 2-(3-ethoxyphenyl)-2-(methylamino)acetate
CID 60873905
methyl 2-(3-ethoxyphenyl)-3-oxobutanoate
CID 112512277
ethyl 2-(2-methylquinolin-6-yl)-2-(prop-2-enylamino)acetate
CID 105378922
ethyl 2-(methylamino)-2-(3-propan-2-yloxyphenyl)acetate
CID 61212076
methyl 2-(3-ethoxyphenyl)-2-(propan-2-ylamino)acetate
CID 60873533

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(3-ethoxyphenyl)-2-(prop-2-enylamino)acetate?
The IUPAC name of ethyl 2-(3-ethoxyphenyl)-2-(prop-2-enylamino)acetate (CID 62353489) is ethyl 2-(3-ethoxyphenyl)-2-(prop-2-enylamino)acetate.
What is the SMILES notation for ethyl 2-(3-ethoxyphenyl)-2-(prop-2-enylamino)acetate?
The canonical SMILES for ethyl 2-(3-ethoxyphenyl)-2-(prop-2-enylamino)acetate is C=CCNC(C(=O)OCC)c1cccc(OCC)c1.
What is the InChIKey of ethyl 2-(3-ethoxyphenyl)-2-(prop-2-enylamino)acetate?
The InChIKey is OFJAQZHHXVVRSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3/c1-4-10-16-14(15(17)19-6-3)12-8-7-9-13(11-12)18-5-2/h4,7-9,11,14,16H,1,5-6,10H2,2-3H3.
What are the key properties of ethyl 2-(3-ethoxyphenyl)-2-(prop-2-enylamino)acetate?
ethyl 2-(3-ethoxyphenyl)-2-(prop-2-enylamino)acetate has a molecular weight of 263.34 g/mol, XLogP of 2.47, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(3-ethoxyphenyl)-2-(prop-2-enylamino)acetate is sourced from PubChem (CID 62353489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).