ethyl 3-(3-carbamoylanilino)propanoate

C12H16N2O3 — CID 114003548

IUPACethyl 3-(3-carbamoylanilino)propanoate
SMILESCCOC(=O)CCNc1cccc(C(N)=O)c1
InChIInChI=1S/C12H16N2O3/c1-2-17-11(15)6-7-14-10-5-3-4-9(8-10)12(13)16/h3-5,8,14H,2,6-7H2,1H3,(H2,13,16)
InChIKeyJWGZNDFIZZMINE-UHFFFAOYSA-N
MW236.27 g/mol
LogP1.15
Rot. Bonds6

About ethyl 3-(3-carbamoylanilino)propanoate

ethyl 3-(3-carbamoylanilino)propanoate (PubChem CID 114003548) has the molecular formula C12H16N2O3 and a molecular weight of 236.27 g/mol. Its IUPAC name is ethyl 3-(3-carbamoylanilino)propanoate.

Molecular Properties

Compound Nameethyl 3-(3-carbamoylanilino)propanoate
PubChem CID114003548
Molecular FormulaC12H16N2O3
Molecular Weight236.27 g/mol
Exact Mass236.12
IUPAC Nameethyl 3-(3-carbamoylanilino)propanoate
SMILESCCOC(=O)CCNc1cccc(C(N)=O)c1
InChIInChI=1S/C12H16N2O3/c1-2-17-11(15)6-7-14-10-5-3-4-9(8-10)12(13)16/h3-5,8,14H,2,6-7H2,1H3,(H2,13,16)
InChIKeyJWGZNDFIZZMINE-UHFFFAOYSA-N
XLogP1.15
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 6-(3-carbamoylanilino)hexanoate
CID 107808980
ethyl 3-(3-ethylanilino)propanoate
CID 43365421
ethyl 3-anilinopropanoate
CID 10910393
3-[(3-amino-3-oxopropyl)amino]benzamide
CID 107811145
ethyl 4-(3-bromoanilino)butanoate
CID 67442615
ethyl 3-(3-butan-2-yloxyanilino)propanoate
CID 62327020
aniline;ethyl 3-anilinopropanoate
CID 158808649
ethyl 3-(3,4-dibromoanilino)propanoate
CID 23052858
ethyl 4-(4-carbamoylanilino)butanoate
CID 60679098
3-[2-(diethylamino)ethylamino]benzamide
CID 107811316
ethyl 3-(4-methylanilino)propanoate
CID 23052674
3-[(2-ethoxy-2-oxoethyl)amino]benzoate
CID 4063762

Frequently Asked Questions

What is the IUPAC name of ethyl 3-(3-carbamoylanilino)propanoate?
The IUPAC name of ethyl 3-(3-carbamoylanilino)propanoate (CID 114003548) is ethyl 3-(3-carbamoylanilino)propanoate.
What is the SMILES notation for ethyl 3-(3-carbamoylanilino)propanoate?
The canonical SMILES for ethyl 3-(3-carbamoylanilino)propanoate is CCOC(=O)CCNc1cccc(C(N)=O)c1.
What is the InChIKey of ethyl 3-(3-carbamoylanilino)propanoate?
The InChIKey is JWGZNDFIZZMINE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O3/c1-2-17-11(15)6-7-14-10-5-3-4-9(8-10)12(13)16/h3-5,8,14H,2,6-7H2,1H3,(H2,13,16).
What are the key properties of ethyl 3-(3-carbamoylanilino)propanoate?
ethyl 3-(3-carbamoylanilino)propanoate has a molecular weight of 236.27 g/mol, XLogP of 1.15, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(3-carbamoylanilino)propanoate is sourced from PubChem (CID 114003548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).