1-[1-(2-morpholin-4-ylethyl)indol-5-yl]-3-(2-morpholin-4-ylpropyl)urea

C22H33N5O3 — CID 56556947

IUPAC1-[1-(2-morpholin-4-ylethyl)indol-5-yl]-3-(2-morpholin-4-ylpropyl)urea
SMILESCC(CNC(=O)Nc1ccc2c(ccn2CCN2CCOCC2)c1)N1CCOCC1
InChIInChI=1S/C22H33N5O3/c1-18(26-10-14-30-15-11-26)17-23-22(28)24-20-2-3-21-19(16-20)4-5-27(21)7-6-25-8-12-29-13-9-25/h2-5,16,18H,6-15,17H2,1H3,(H2,23,24,28)
InChIKeyFNSPAVDOUQBTDV-UHFFFAOYSA-N
MW415.54 g/mol
LogP1.82
Rot. Bonds7

About 1-[1-(2-morpholin-4-ylethyl)indol-5-yl]-3-(2-morpholin-4-ylpropyl)urea

1-[1-(2-morpholin-4-ylethyl)indol-5-yl]-3-(2-morpholin-4-ylpropyl)urea (PubChem CID 56556947) has the molecular formula C22H33N5O3 and a molecular weight of 415.54 g/mol. Its IUPAC name is 1-[1-(2-morpholin-4-ylethyl)indol-5-yl]-3-(2-morpholin-4-ylpropyl)urea.

Molecular Properties

Compound Name1-[1-(2-morpholin-4-ylethyl)indol-5-yl]-3-(2-morpholin-4-ylpropyl)urea
PubChem CID56556947
Molecular FormulaC22H33N5O3
Molecular Weight415.54 g/mol
Exact Mass415.26
IUPAC Name1-[1-(2-morpholin-4-ylethyl)indol-5-yl]-3-(2-morpholin-4-ylpropyl)urea
SMILESCC(CNC(=O)Nc1ccc2c(ccn2CCN2CCOCC2)c1)N1CCOCC1
InChIInChI=1S/C22H33N5O3/c1-18(26-10-14-30-15-11-26)17-23-22(28)24-20-2-3-21-19(16-20)4-5-27(21)7-6-25-8-12-29-13-9-25/h2-5,16,18H,6-15,17H2,1H3,(H2,23,24,28)
InChIKeyFNSPAVDOUQBTDV-UHFFFAOYSA-N
XLogP1.82
TPSA71.00 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.54
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-morpholin-4-ylethyl)indol-5-yl]-3-(2-morpholin-4-ylpropyl)urea?
The IUPAC name of 1-[1-(2-morpholin-4-ylethyl)indol-5-yl]-3-(2-morpholin-4-ylpropyl)urea (CID 56556947) is 1-[1-(2-morpholin-4-ylethyl)indol-5-yl]-3-(2-morpholin-4-ylpropyl)urea.
What is the SMILES notation for 1-[1-(2-morpholin-4-ylethyl)indol-5-yl]-3-(2-morpholin-4-ylpropyl)urea?
The canonical SMILES for 1-[1-(2-morpholin-4-ylethyl)indol-5-yl]-3-(2-morpholin-4-ylpropyl)urea is CC(CNC(=O)Nc1ccc2c(ccn2CCN2CCOCC2)c1)N1CCOCC1.
What is the InChIKey of 1-[1-(2-morpholin-4-ylethyl)indol-5-yl]-3-(2-morpholin-4-ylpropyl)urea?
The InChIKey is FNSPAVDOUQBTDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H33N5O3/c1-18(26-10-14-30-15-11-26)17-23-22(28)24-20-2-3-21-19(16-20)4-5-27(21)7-6-25-8-12-29-13-9-25/h2-5,16,18H,6-15,17H2,1H3,(H2,23,24,28).
What are the key properties of 1-[1-(2-morpholin-4-ylethyl)indol-5-yl]-3-(2-morpholin-4-ylpropyl)urea?
1-[1-(2-morpholin-4-ylethyl)indol-5-yl]-3-(2-morpholin-4-ylpropyl)urea has a molecular weight of 415.54 g/mol, XLogP of 1.82, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-morpholin-4-ylethyl)indol-5-yl]-3-(2-morpholin-4-ylpropyl)urea is sourced from PubChem (CID 56556947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).