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

C19H25N3O4 — CID 2577808

IUPAC[2-(3-methylbutylcarbamoylamino)-2-oxoethyl] 3-(1H-indol-3-yl)propanoate
SMILESCC(C)CCNC(=O)NC(=O)COC(=O)CCc1c[nH]c2ccccc12
InChIInChI=1S/C19H25N3O4/c1-13(2)9-10-20-19(25)22-17(23)12-26-18(24)8-7-14-11-21-16-6-4-3-5-15(14)16/h3-6,11,13,21H,7-10,12H2,1-2H3,(H2,20,22,23,25)
InChIKeyZNLPGLMLPTYBMM-UHFFFAOYSA-N
MW359.43 g/mol
LogP2.52
Rot. Bonds8

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

[2-(3-methylbutylcarbamoylamino)-2-oxoethyl] 3-(1H-indol-3-yl)propanoate (PubChem CID 2577808) has the molecular formula C19H25N3O4 and a molecular weight of 359.43 g/mol. Its IUPAC name is [2-(3-methylbutylcarbamoylamino)-2-oxoethyl] 3-(1H-indol-3-yl)propanoate.

Molecular Properties

Compound Name[2-(3-methylbutylcarbamoylamino)-2-oxoethyl] 3-(1H-indol-3-yl)propanoate
PubChem CID2577808
Molecular FormulaC19H25N3O4
Molecular Weight359.43 g/mol
Exact Mass359.18
IUPAC Name[2-(3-methylbutylcarbamoylamino)-2-oxoethyl] 3-(1H-indol-3-yl)propanoate
SMILESCC(C)CCNC(=O)NC(=O)COC(=O)CCc1c[nH]c2ccccc12
InChIInChI=1S/C19H25N3O4/c1-13(2)9-10-20-19(25)22-17(23)12-26-18(24)8-7-14-11-21-16-6-4-3-5-15(14)16/h3-6,11,13,21H,7-10,12H2,1-2H3,(H2,20,22,23,25)
InChIKeyZNLPGLMLPTYBMM-UHFFFAOYSA-N
XLogP2.52
TPSA100.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 52.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(ethylcarbamoylamino)-2-oxoethyl] 3-(1H-indol-3-yl)propanoate
CID 4270679
[2-oxo-2-[[(2S)-pentan-2-yl]amino]ethyl] 3-(1H-indol-3-yl)propanoate
CID 40651024
[2-[[(2R)-butan-2-yl]amino]-2-oxoethyl] 3-(1H-indol-3-yl)propanoate
CID 7169307
[2-[(4-methylphenyl)methylamino]-2-oxoethyl] 3-(1H-indol-3-yl)propanoate
CID 2577795
[2-(ethylcarbamoylamino)-2-oxoethyl] 2-(1H-indol-3-yl)acetate
CID 4031786
[2-oxo-2-(propylamino)ethyl] 4-(1H-indol-3-yl)butanoate
CID 4024790
[2-oxo-2-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]ethyl] 4-(1H-indol-3-yl)butanoate
CID 9016665
[2-[[(2R)-3-methylbutan-2-yl]amino]-2-oxoethyl] 4-(1H-indol-3-yl)butanoate
CID 7659140
[2-(3-methylbutylcarbamoylamino)-2-oxoethyl] 3-(4-methoxyphenyl)propanoate
CID 8007989
[2-[2-(4-methylphenyl)sulfanylethylamino]-2-oxoethyl] 3-(1H-indol-3-yl)propanoate
CID 7605261
[2-(3-methylbutylcarbamoylamino)-2-oxoethyl] 1H-indazole-3-carboxylate
CID 2534586
[2-(3-methylbutylcarbamoylamino)-2-oxoethyl] 2-(2-fluorophenyl)acetate
CID 2544607

Frequently Asked Questions

What is the IUPAC name of [2-(3-methylbutylcarbamoylamino)-2-oxoethyl] 3-(1H-indol-3-yl)propanoate?
The IUPAC name of [2-(3-methylbutylcarbamoylamino)-2-oxoethyl] 3-(1H-indol-3-yl)propanoate (CID 2577808) is [2-(3-methylbutylcarbamoylamino)-2-oxoethyl] 3-(1H-indol-3-yl)propanoate.
What is the SMILES notation for [2-(3-methylbutylcarbamoylamino)-2-oxoethyl] 3-(1H-indol-3-yl)propanoate?
The canonical SMILES for [2-(3-methylbutylcarbamoylamino)-2-oxoethyl] 3-(1H-indol-3-yl)propanoate is CC(C)CCNC(=O)NC(=O)COC(=O)CCc1c[nH]c2ccccc12.
What is the InChIKey of [2-(3-methylbutylcarbamoylamino)-2-oxoethyl] 3-(1H-indol-3-yl)propanoate?
The InChIKey is ZNLPGLMLPTYBMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O4/c1-13(2)9-10-20-19(25)22-17(23)12-26-18(24)8-7-14-11-21-16-6-4-3-5-15(14)16/h3-6,11,13,21H,7-10,12H2,1-2H3,(H2,20,22,23,25).
What are the key properties of [2-(3-methylbutylcarbamoylamino)-2-oxoethyl] 3-(1H-indol-3-yl)propanoate?
[2-(3-methylbutylcarbamoylamino)-2-oxoethyl] 3-(1H-indol-3-yl)propanoate has a molecular weight of 359.43 g/mol, XLogP of 2.52, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-methylbutylcarbamoylamino)-2-oxoethyl] 3-(1H-indol-3-yl)propanoate is sourced from PubChem (CID 2577808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).