1-[1-(2-morpholin-4-ylethyl)indol-5-yl]-3-[(4-propan-2-yloxyphenyl)methyl]urea

C25H32N4O3 — CID 56557266

IUPAC1-[1-(2-morpholin-4-ylethyl)indol-5-yl]-3-[(4-propan-2-yloxyphenyl)methyl]urea
SMILESCC(C)Oc1ccc(CNC(=O)Nc2ccc3c(ccn3CCN3CCOCC3)c2)cc1
InChIInChI=1S/C25H32N4O3/c1-19(2)32-23-6-3-20(4-7-23)18-26-25(30)27-22-5-8-24-21(17-22)9-10-29(24)12-11-28-13-15-31-16-14-28/h3-10,17,19H,11-16,18H2,1-2H3,(H2,26,27,30)
InChIKeyCPVOIZFDFKNZOI-UHFFFAOYSA-N
MW436.56 g/mol
LogP4.08
Rot. Bonds8

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

1-[1-(2-morpholin-4-ylethyl)indol-5-yl]-3-[(4-propan-2-yloxyphenyl)methyl]urea (PubChem CID 56557266) has the molecular formula C25H32N4O3 and a molecular weight of 436.56 g/mol. Its IUPAC name is 1-[1-(2-morpholin-4-ylethyl)indol-5-yl]-3-[(4-propan-2-yloxyphenyl)methyl]urea.

Molecular Properties

Compound Name1-[1-(2-morpholin-4-ylethyl)indol-5-yl]-3-[(4-propan-2-yloxyphenyl)methyl]urea
PubChem CID56557266
Molecular FormulaC25H32N4O3
Molecular Weight436.56 g/mol
Exact Mass436.25
IUPAC Name1-[1-(2-morpholin-4-ylethyl)indol-5-yl]-3-[(4-propan-2-yloxyphenyl)methyl]urea
SMILESCC(C)Oc1ccc(CNC(=O)Nc2ccc3c(ccn3CCN3CCOCC3)c2)cc1
InChIInChI=1S/C25H32N4O3/c1-19(2)32-23-6-3-20(4-7-23)18-26-25(30)27-22-5-8-24-21(17-22)9-10-29(24)12-11-28-13-15-31-16-14-28/h3-10,17,19H,11-16,18H2,1-2H3,(H2,26,27,30)
InChIKeyCPVOIZFDFKNZOI-UHFFFAOYSA-N
XLogP4.08
TPSA67.76 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.56
LogP ≤ 54.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-[1-(2-morpholin-4-ylethyl)indol-5-yl]-3-[(4-propan-2-yloxyphenyl)methyl]urea with MolForge

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Related Compounds

1-[(4-chlorophenyl)methyl]-3-[1-(2-morpholin-4-ylethyl)indol-5-yl]urea
CID 56549716
N-[3-[[[1-(2-morpholin-4-ylethyl)indol-5-yl]carbamoylamino]methyl]phenyl]acetamide
CID 56556717
1-[1-(2-morpholin-4-ylethyl)indol-5-yl]-3-(2-morpholin-4-ylpropyl)urea
CID 56556947
1-hexyl-3-[1-(2-morpholin-4-ylethyl)indol-5-yl]urea
CID 56557196
1-[1-(2-morpholin-4-ylethyl)indol-5-yl]-3-(4-phenylbutan-2-yl)urea
CID 56557229
1-[2-(3-methoxyphenoxy)ethyl]-3-[1-(2-morpholin-4-ylethyl)indol-5-yl]urea
CID 56556653
3-amino-2-methyl-N-[1-(2-morpholin-4-ylethyl)indol-5-yl]butanamide;dihydrochloride
CID 120503366
1-(2-piperidin-1-ylethyl)-5-propan-2-yloxyindole
CID 116625738
4-acetyl-3,5-dimethyl-N-[1-(2-morpholin-4-ylethyl)indol-5-yl]-1H-pyrrole-2-carboxamide
CID 49498040
(2R)-N-[1-(2-morpholin-4-ylethyl)indol-5-yl]oxolane-2-carboxamide
CID 94391676
2-amino-2-methyl-N-[1-(2-morpholin-4-ylethyl)indol-5-yl]pentanamide;dihydrochloride
CID 119864723
2-(5-piperidin-1-ylsulfonylindol-1-yl)-N-[(4-propan-2-yloxyphenyl)methyl]acetamide
CID 20918891

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-morpholin-4-ylethyl)indol-5-yl]-3-[(4-propan-2-yloxyphenyl)methyl]urea?
The IUPAC name of 1-[1-(2-morpholin-4-ylethyl)indol-5-yl]-3-[(4-propan-2-yloxyphenyl)methyl]urea (CID 56557266) is 1-[1-(2-morpholin-4-ylethyl)indol-5-yl]-3-[(4-propan-2-yloxyphenyl)methyl]urea.
What is the SMILES notation for 1-[1-(2-morpholin-4-ylethyl)indol-5-yl]-3-[(4-propan-2-yloxyphenyl)methyl]urea?
The canonical SMILES for 1-[1-(2-morpholin-4-ylethyl)indol-5-yl]-3-[(4-propan-2-yloxyphenyl)methyl]urea is CC(C)Oc1ccc(CNC(=O)Nc2ccc3c(ccn3CCN3CCOCC3)c2)cc1.
What is the InChIKey of 1-[1-(2-morpholin-4-ylethyl)indol-5-yl]-3-[(4-propan-2-yloxyphenyl)methyl]urea?
The InChIKey is CPVOIZFDFKNZOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N4O3/c1-19(2)32-23-6-3-20(4-7-23)18-26-25(30)27-22-5-8-24-21(17-22)9-10-29(24)12-11-28-13-15-31-16-14-28/h3-10,17,19H,11-16,18H2,1-2H3,(H2,26,27,30).
What are the key properties of 1-[1-(2-morpholin-4-ylethyl)indol-5-yl]-3-[(4-propan-2-yloxyphenyl)methyl]urea?
1-[1-(2-morpholin-4-ylethyl)indol-5-yl]-3-[(4-propan-2-yloxyphenyl)methyl]urea has a molecular weight of 436.56 g/mol, XLogP of 4.08, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-morpholin-4-ylethyl)indol-5-yl]-3-[(4-propan-2-yloxyphenyl)methyl]urea is sourced from PubChem (CID 56557266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).