ethyl 3-(3-ethylanilino)propanoate

C13H19NO2 — CID 43365421

IUPACethyl 3-(3-ethylanilino)propanoate
SMILESCCOC(=O)CCNc1cccc(CC)c1
InChIInChI=1S/C13H19NO2/c1-3-11-6-5-7-12(10-11)14-9-8-13(15)16-4-2/h5-7,10,14H,3-4,8-9H2,1-2H3
InChIKeyMTCYXQNXVBMKCN-UHFFFAOYSA-N
MW221.30 g/mol
LogP2.61
Rot. Bonds6

About ethyl 3-(3-ethylanilino)propanoate

ethyl 3-(3-ethylanilino)propanoate (PubChem CID 43365421) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is ethyl 3-(3-ethylanilino)propanoate.

Molecular Properties

Compound Nameethyl 3-(3-ethylanilino)propanoate
PubChem CID43365421
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC Nameethyl 3-(3-ethylanilino)propanoate
SMILESCCOC(=O)CCNc1cccc(CC)c1
InChIInChI=1S/C13H19NO2/c1-3-11-6-5-7-12(10-11)14-9-8-13(15)16-4-2/h5-7,10,14H,3-4,8-9H2,1-2H3
InChIKeyMTCYXQNXVBMKCN-UHFFFAOYSA-N
XLogP2.61
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 3-(3-carbamoylanilino)propanoate
CID 114003548
ethyl 3-anilinopropanoate
CID 10910393
ethyl 3-(3-butan-2-yloxyanilino)propanoate
CID 62327020
aniline;ethyl 3-anilinopropanoate
CID 158808649
ethyl 3-(3,4-dibromoanilino)propanoate
CID 23052858
ethyl 3-(4-methylanilino)propanoate
CID 23052674
ethyl 4-(3-bromoanilino)butanoate
CID 67442615
ethyl 3-(pyridin-3-ylamino)propanoate;hydrochloride
CID 172819614
3-(3-ethylanilino)propanimidamide;dihydrochloride
CID 172803817
ethyl 6-(3-carbamoylanilino)hexanoate
CID 107808980
[2-(3-ethylanilino)-2-oxoethyl] 3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 8734350
ethyl 3-[3-(3-ethoxy-3-oxopropyl)phenyl]propanoate
CID 69039070

Frequently Asked Questions

What is the IUPAC name of ethyl 3-(3-ethylanilino)propanoate?
The IUPAC name of ethyl 3-(3-ethylanilino)propanoate (CID 43365421) is ethyl 3-(3-ethylanilino)propanoate.
What is the SMILES notation for ethyl 3-(3-ethylanilino)propanoate?
The canonical SMILES for ethyl 3-(3-ethylanilino)propanoate is CCOC(=O)CCNc1cccc(CC)c1.
What is the InChIKey of ethyl 3-(3-ethylanilino)propanoate?
The InChIKey is MTCYXQNXVBMKCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2/c1-3-11-6-5-7-12(10-11)14-9-8-13(15)16-4-2/h5-7,10,14H,3-4,8-9H2,1-2H3.
What are the key properties of ethyl 3-(3-ethylanilino)propanoate?
ethyl 3-(3-ethylanilino)propanoate has a molecular weight of 221.30 g/mol, XLogP of 2.61, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(3-ethylanilino)propanoate is sourced from PubChem (CID 43365421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).