[2-(ethylcarbamoylamino)-2-oxoethyl] 3-(1H-indol-3-yl)propanoate

C16H19N3O4 — CID 4270679

IUPAC[2-(ethylcarbamoylamino)-2-oxoethyl] 3-(1H-indol-3-yl)propanoate
SMILESCCNC(=O)NC(=O)COC(=O)CCc1c[nH]c2ccccc12
InChIInChI=1S/C16H19N3O4/c1-2-17-16(22)19-14(20)10-23-15(21)8-7-11-9-18-13-6-4-3-5-12(11)13/h3-6,9,18H,2,7-8,10H2,1H3,(H2,17,19,20,22)
InChIKeyCUJGMDVCTCSFBO-UHFFFAOYSA-N
MW317.35 g/mol
LogP1.49
Rot. Bonds6

About [2-(ethylcarbamoylamino)-2-oxoethyl] 3-(1H-indol-3-yl)propanoate

[2-(ethylcarbamoylamino)-2-oxoethyl] 3-(1H-indol-3-yl)propanoate (PubChem CID 4270679) has the molecular formula C16H19N3O4 and a molecular weight of 317.35 g/mol. Its IUPAC name is [2-(ethylcarbamoylamino)-2-oxoethyl] 3-(1H-indol-3-yl)propanoate.

Molecular Properties

Compound Name[2-(ethylcarbamoylamino)-2-oxoethyl] 3-(1H-indol-3-yl)propanoate
PubChem CID4270679
Molecular FormulaC16H19N3O4
Molecular Weight317.35 g/mol
Exact Mass317.14
IUPAC Name[2-(ethylcarbamoylamino)-2-oxoethyl] 3-(1H-indol-3-yl)propanoate
SMILESCCNC(=O)NC(=O)COC(=O)CCc1c[nH]c2ccccc12
InChIInChI=1S/C16H19N3O4/c1-2-17-16(22)19-14(20)10-23-15(21)8-7-11-9-18-13-6-4-3-5-12(11)13/h3-6,9,18H,2,7-8,10H2,1H3,(H2,17,19,20,22)
InChIKeyCUJGMDVCTCSFBO-UHFFFAOYSA-N
XLogP1.49
TPSA100.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.35
LogP ≤ 51.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(ethylcarbamoylamino)-2-oxoethyl] 2-(1H-indol-3-yl)acetate
CID 4031786
[2-(3-methylbutylcarbamoylamino)-2-oxoethyl] 3-(1H-indol-3-yl)propanoate
CID 2577808
[2-[(4-methylphenyl)methylamino]-2-oxoethyl] 3-(1H-indol-3-yl)propanoate
CID 2577795
[2-[[(2R)-butan-2-yl]amino]-2-oxoethyl] 3-(1H-indol-3-yl)propanoate
CID 7169307
[2-oxo-2-[[(2S)-pentan-2-yl]amino]ethyl] 3-(1H-indol-3-yl)propanoate
CID 40651024
[2-oxo-2-(propylamino)ethyl] 4-(1H-indol-3-yl)butanoate
CID 4024790
[2-oxo-2-(prop-2-enylcarbamoylamino)ethyl] 2-(1H-indol-3-yl)acetate
CID 8896357
[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl] 4-(1H-indol-3-yl)butanoate
CID 2475685
[2-[[2-(2,3-dimethylanilino)-2-oxoethyl]amino]-2-oxoethyl] 3-(1H-indol-3-yl)propanoate
CID 7169511
[2-[2-(4-methylphenyl)sulfanylethylamino]-2-oxoethyl] 3-(1H-indol-3-yl)propanoate
CID 7605261
[2-[(4-methylphenyl)methylamino]-2-oxoethyl] 4-(1H-indol-3-yl)butanoate
CID 2495066
pentyl 3-(1H-indol-3-yl)propanoate
CID 70811312

Frequently Asked Questions

What is the IUPAC name of [2-(ethylcarbamoylamino)-2-oxoethyl] 3-(1H-indol-3-yl)propanoate?
The IUPAC name of [2-(ethylcarbamoylamino)-2-oxoethyl] 3-(1H-indol-3-yl)propanoate (CID 4270679) is [2-(ethylcarbamoylamino)-2-oxoethyl] 3-(1H-indol-3-yl)propanoate.
What is the SMILES notation for [2-(ethylcarbamoylamino)-2-oxoethyl] 3-(1H-indol-3-yl)propanoate?
The canonical SMILES for [2-(ethylcarbamoylamino)-2-oxoethyl] 3-(1H-indol-3-yl)propanoate is CCNC(=O)NC(=O)COC(=O)CCc1c[nH]c2ccccc12.
What is the InChIKey of [2-(ethylcarbamoylamino)-2-oxoethyl] 3-(1H-indol-3-yl)propanoate?
The InChIKey is CUJGMDVCTCSFBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O4/c1-2-17-16(22)19-14(20)10-23-15(21)8-7-11-9-18-13-6-4-3-5-12(11)13/h3-6,9,18H,2,7-8,10H2,1H3,(H2,17,19,20,22).
What are the key properties of [2-(ethylcarbamoylamino)-2-oxoethyl] 3-(1H-indol-3-yl)propanoate?
[2-(ethylcarbamoylamino)-2-oxoethyl] 3-(1H-indol-3-yl)propanoate has a molecular weight of 317.35 g/mol, XLogP of 1.49, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(ethylcarbamoylamino)-2-oxoethyl] 3-(1H-indol-3-yl)propanoate is sourced from PubChem (CID 4270679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).