ethyl 2-(prop-2-enylamino)-2-(4-propoxyphenyl)acetate

C16H23NO3 — CID 62496644

IUPACethyl 2-(prop-2-enylamino)-2-(4-propoxyphenyl)acetate
SMILESC=CCNC(C(=O)OCC)c1ccc(OCCC)cc1
InChIInChI=1S/C16H23NO3/c1-4-11-17-15(16(18)19-6-3)13-7-9-14(10-8-13)20-12-5-2/h4,7-10,15,17H,1,5-6,11-12H2,2-3H3
InChIKeyZZOCGMUSEYPAGD-UHFFFAOYSA-N
MW277.36 g/mol
LogP2.86
Rot. Bonds9

About ethyl 2-(prop-2-enylamino)-2-(4-propoxyphenyl)acetate

ethyl 2-(prop-2-enylamino)-2-(4-propoxyphenyl)acetate (PubChem CID 62496644) has the molecular formula C16H23NO3 and a molecular weight of 277.36 g/mol. Its IUPAC name is ethyl 2-(prop-2-enylamino)-2-(4-propoxyphenyl)acetate.

Molecular Properties

Compound Nameethyl 2-(prop-2-enylamino)-2-(4-propoxyphenyl)acetate
PubChem CID62496644
Molecular FormulaC16H23NO3
Molecular Weight277.36 g/mol
Exact Mass277.17
IUPAC Nameethyl 2-(prop-2-enylamino)-2-(4-propoxyphenyl)acetate
SMILESC=CCNC(C(=O)OCC)c1ccc(OCCC)cc1
InChIInChI=1S/C16H23NO3/c1-4-11-17-15(16(18)19-6-3)13-7-9-14(10-8-13)20-12-5-2/h4,7-10,15,17H,1,5-6,11-12H2,2-3H3
InChIKeyZZOCGMUSEYPAGD-UHFFFAOYSA-N
XLogP2.86
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.36
LogP ≤ 52.86
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-(3,4-dimethylphenyl)-2-(prop-2-enylamino)acetate
CID 62352914
ethyl 2-(3-ethoxyphenyl)-2-(prop-2-enylamino)acetate
CID 62353489
ethyl 2-(3,4-dibromophenyl)-2-(prop-2-enylamino)acetate
CID 114077403
methyl 2-(2-methoxyethylamino)-2-(4-propoxyphenyl)acetate
CID 62540489
ethyl 2-(3-bromophenyl)-2-(prop-2-enylamino)acetate
CID 62352919
ethyl 2-(2-methylquinolin-6-yl)-2-(prop-2-enylamino)acetate
CID 105378922
ethyl 2-(ethylamino)-2-(4-propan-2-yloxyphenyl)acetate
CID 54932724
methyl 2-phenyl-2-(prop-2-enylamino)acetate
CID 21300031
methyl 2-(4-tert-butylphenyl)-2-(prop-2-enylamino)acetate
CID 62355280
ethyl 2-(2-methylpropylamino)-2-(4-propan-2-yloxyphenyl)acetate
CID 61002775
ethyl 2-phenyl-2-[[(E)-3-phenylprop-2-enyl]amino]acetate
CID 90042137
N-prop-2-enyl-2-(4-propoxyanilino)propanamide
CID 62328512

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(prop-2-enylamino)-2-(4-propoxyphenyl)acetate?
The IUPAC name of ethyl 2-(prop-2-enylamino)-2-(4-propoxyphenyl)acetate (CID 62496644) is ethyl 2-(prop-2-enylamino)-2-(4-propoxyphenyl)acetate.
What is the SMILES notation for ethyl 2-(prop-2-enylamino)-2-(4-propoxyphenyl)acetate?
The canonical SMILES for ethyl 2-(prop-2-enylamino)-2-(4-propoxyphenyl)acetate is C=CCNC(C(=O)OCC)c1ccc(OCCC)cc1.
What is the InChIKey of ethyl 2-(prop-2-enylamino)-2-(4-propoxyphenyl)acetate?
The InChIKey is ZZOCGMUSEYPAGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO3/c1-4-11-17-15(16(18)19-6-3)13-7-9-14(10-8-13)20-12-5-2/h4,7-10,15,17H,1,5-6,11-12H2,2-3H3.
What are the key properties of ethyl 2-(prop-2-enylamino)-2-(4-propoxyphenyl)acetate?
ethyl 2-(prop-2-enylamino)-2-(4-propoxyphenyl)acetate has a molecular weight of 277.36 g/mol, XLogP of 2.86, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(prop-2-enylamino)-2-(4-propoxyphenyl)acetate is sourced from PubChem (CID 62496644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).