[3-(benzylcarbamoylamino)-3-oxopropyl] 2-(2-methylindol-1-yl)acetate

C22H23N3O4 — CID 18267144

IUPAC[3-(benzylcarbamoylamino)-3-oxopropyl] 2-(2-methylindol-1-yl)acetate
SMILESCc1cc2ccccc2n1CC(=O)OCCC(=O)NC(=O)NCc1ccccc1
InChIInChI=1S/C22H23N3O4/c1-16-13-18-9-5-6-10-19(18)25(16)15-21(27)29-12-11-20(26)24-22(28)23-14-17-7-3-2-4-8-17/h2-10,13H,11-12,14-15H2,1H3,(H2,23,24,26,28)
InChIKeyDSJHBWPRHLDIQB-UHFFFAOYSA-N
MW393.44 g/mol
LogP2.91
Rot. Bonds7

About [3-(benzylcarbamoylamino)-3-oxopropyl] 2-(2-methylindol-1-yl)acetate

[3-(benzylcarbamoylamino)-3-oxopropyl] 2-(2-methylindol-1-yl)acetate (PubChem CID 18267144) has the molecular formula C22H23N3O4 and a molecular weight of 393.44 g/mol. Its IUPAC name is [3-(benzylcarbamoylamino)-3-oxopropyl] 2-(2-methylindol-1-yl)acetate.

Molecular Properties

Compound Name[3-(benzylcarbamoylamino)-3-oxopropyl] 2-(2-methylindol-1-yl)acetate
PubChem CID18267144
Molecular FormulaC22H23N3O4
Molecular Weight393.44 g/mol
Exact Mass393.17
IUPAC Name[3-(benzylcarbamoylamino)-3-oxopropyl] 2-(2-methylindol-1-yl)acetate
SMILESCc1cc2ccccc2n1CC(=O)OCCC(=O)NC(=O)NCc1ccccc1
InChIInChI=1S/C22H23N3O4/c1-16-13-18-9-5-6-10-19(18)25(16)15-21(27)29-12-11-20(26)24-22(28)23-14-17-7-3-2-4-8-17/h2-10,13H,11-12,14-15H2,1H3,(H2,23,24,26,28)
InChIKeyDSJHBWPRHLDIQB-UHFFFAOYSA-N
XLogP2.91
TPSA89.43 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.44
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [3-(benzylcarbamoylamino)-3-oxopropyl] 2-(2-methylindol-1-yl)acetate?
The IUPAC name of [3-(benzylcarbamoylamino)-3-oxopropyl] 2-(2-methylindol-1-yl)acetate (CID 18267144) is [3-(benzylcarbamoylamino)-3-oxopropyl] 2-(2-methylindol-1-yl)acetate.
What is the SMILES notation for [3-(benzylcarbamoylamino)-3-oxopropyl] 2-(2-methylindol-1-yl)acetate?
The canonical SMILES for [3-(benzylcarbamoylamino)-3-oxopropyl] 2-(2-methylindol-1-yl)acetate is Cc1cc2ccccc2n1CC(=O)OCCC(=O)NC(=O)NCc1ccccc1.
What is the InChIKey of [3-(benzylcarbamoylamino)-3-oxopropyl] 2-(2-methylindol-1-yl)acetate?
The InChIKey is DSJHBWPRHLDIQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O4/c1-16-13-18-9-5-6-10-19(18)25(16)15-21(27)29-12-11-20(26)24-22(28)23-14-17-7-3-2-4-8-17/h2-10,13H,11-12,14-15H2,1H3,(H2,23,24,26,28).
What are the key properties of [3-(benzylcarbamoylamino)-3-oxopropyl] 2-(2-methylindol-1-yl)acetate?
[3-(benzylcarbamoylamino)-3-oxopropyl] 2-(2-methylindol-1-yl)acetate has a molecular weight of 393.44 g/mol, XLogP of 2.91, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(benzylcarbamoylamino)-3-oxopropyl] 2-(2-methylindol-1-yl)acetate is sourced from PubChem (CID 18267144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).