[1-oxo-1-(prop-2-enylamino)propan-2-yl] 1-ethylindole-3-carboxylate

C17H20N2O3 — CID 24520194

IUPAC[1-oxo-1-(prop-2-enylamino)propan-2-yl] 1-ethylindole-3-carboxylate
SMILESC=CCNC(=O)C(C)OC(=O)c1cn(CC)c2ccccc12
InChIInChI=1S/C17H20N2O3/c1-4-10-18-16(20)12(3)22-17(21)14-11-19(5-2)15-9-7-6-8-13(14)15/h4,6-9,11-12H,1,5,10H2,2-3H3,(H,18,20)
InChIKeyRIVFLYOQZZKYOY-UHFFFAOYSA-N
MW300.36 g/mol
LogP2.51
Rot. Bonds6

About [1-oxo-1-(prop-2-enylamino)propan-2-yl] 1-ethylindole-3-carboxylate

[1-oxo-1-(prop-2-enylamino)propan-2-yl] 1-ethylindole-3-carboxylate (PubChem CID 24520194) has the molecular formula C17H20N2O3 and a molecular weight of 300.36 g/mol. Its IUPAC name is [1-oxo-1-(prop-2-enylamino)propan-2-yl] 1-ethylindole-3-carboxylate.

Molecular Properties

Compound Name[1-oxo-1-(prop-2-enylamino)propan-2-yl] 1-ethylindole-3-carboxylate
PubChem CID24520194
Molecular FormulaC17H20N2O3
Molecular Weight300.36 g/mol
Exact Mass300.15
IUPAC Name[1-oxo-1-(prop-2-enylamino)propan-2-yl] 1-ethylindole-3-carboxylate
SMILESC=CCNC(=O)C(C)OC(=O)c1cn(CC)c2ccccc12
InChIInChI=1S/C17H20N2O3/c1-4-10-18-16(20)12(3)22-17(21)14-11-19(5-2)15-9-7-6-8-13(14)15/h4,6-9,11-12H,1,5,10H2,2-3H3,(H,18,20)
InChIKeyRIVFLYOQZZKYOY-UHFFFAOYSA-N
XLogP2.51
TPSA60.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze [1-oxo-1-(prop-2-enylamino)propan-2-yl] 1-ethylindole-3-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[1-oxo-1-(prop-2-enylamino)propan-2-yl] 1-benzylindole-3-carboxylate
CID 55442176
[1-(cyclohexylamino)-1-oxopropan-2-yl] 1-ethylindole-3-carboxylate
CID 46640535
[1-(3-acetylanilino)-1-oxopropan-2-yl] 1-ethylindole-3-carboxylate
CID 46640542
[1-(2-methoxy-5-methylanilino)-1-oxopropan-2-yl] 1-ethylindole-3-carboxylate
CID 24520196
[1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] 1-ethylindole-3-carboxylate
CID 18099018
[(2R)-1-oxo-1-(prop-2-enylamino)propan-2-yl] 2-[2-(dimethylamino)-2-oxoethyl]sulfanylbenzoate
CID 9062254
[1-oxo-1-(prop-2-enylamino)propan-2-yl] 2-bromo-4-fluorobenzoate
CID 18092138
[(2R)-1-oxo-1-(prop-2-enylamino)propan-2-yl] quinoline-8-carboxylate
CID 9061879
[1-oxo-1-(prop-2-enylamino)propan-2-yl] 3-(methoxymethyl)-1-benzofuran-2-carboxylate
CID 18091738
[(2S)-1-oxo-1-(prop-2-enylamino)propan-2-yl] 3,4,5-triethoxybenzoate
CID 51907878
2-(3-methoxycarbonylindol-1-yl)acetic acid
CID 4962452
(Z)-4-(1-ethylindol-3-yl)-1,1,1-trifluoro-4-hydroxybut-3-en-2-one
CID 139168536

Frequently Asked Questions

What is the IUPAC name of [1-oxo-1-(prop-2-enylamino)propan-2-yl] 1-ethylindole-3-carboxylate?
The IUPAC name of [1-oxo-1-(prop-2-enylamino)propan-2-yl] 1-ethylindole-3-carboxylate (CID 24520194) is [1-oxo-1-(prop-2-enylamino)propan-2-yl] 1-ethylindole-3-carboxylate.
What is the SMILES notation for [1-oxo-1-(prop-2-enylamino)propan-2-yl] 1-ethylindole-3-carboxylate?
The canonical SMILES for [1-oxo-1-(prop-2-enylamino)propan-2-yl] 1-ethylindole-3-carboxylate is C=CCNC(=O)C(C)OC(=O)c1cn(CC)c2ccccc12.
What is the InChIKey of [1-oxo-1-(prop-2-enylamino)propan-2-yl] 1-ethylindole-3-carboxylate?
The InChIKey is RIVFLYOQZZKYOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O3/c1-4-10-18-16(20)12(3)22-17(21)14-11-19(5-2)15-9-7-6-8-13(14)15/h4,6-9,11-12H,1,5,10H2,2-3H3,(H,18,20).
What are the key properties of [1-oxo-1-(prop-2-enylamino)propan-2-yl] 1-ethylindole-3-carboxylate?
[1-oxo-1-(prop-2-enylamino)propan-2-yl] 1-ethylindole-3-carboxylate has a molecular weight of 300.36 g/mol, XLogP of 2.51, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-oxo-1-(prop-2-enylamino)propan-2-yl] 1-ethylindole-3-carboxylate is sourced from PubChem (CID 24520194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).