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

C21H32N4O2 — CID 56557196

IUPAC1-hexyl-3-[1-(2-morpholin-4-ylethyl)indol-5-yl]urea
SMILESCCCCCCNC(=O)Nc1ccc2c(ccn2CCN2CCOCC2)c1
InChIInChI=1S/C21H32N4O2/c1-2-3-4-5-9-22-21(26)23-19-6-7-20-18(17-19)8-10-25(20)12-11-24-13-15-27-16-14-24/h6-8,10,17H,2-5,9,11-16H2,1H3,(H2,22,23,26)
InChIKeyNZJVMZVHFXEMLX-UHFFFAOYSA-N
MW372.51 g/mol
LogP3.68
Rot. Bonds9

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

1-hexyl-3-[1-(2-morpholin-4-ylethyl)indol-5-yl]urea (PubChem CID 56557196) has the molecular formula C21H32N4O2 and a molecular weight of 372.51 g/mol. Its IUPAC name is 1-hexyl-3-[1-(2-morpholin-4-ylethyl)indol-5-yl]urea.

Molecular Properties

Compound Name1-hexyl-3-[1-(2-morpholin-4-ylethyl)indol-5-yl]urea
PubChem CID56557196
Molecular FormulaC21H32N4O2
Molecular Weight372.51 g/mol
Exact Mass372.25
IUPAC Name1-hexyl-3-[1-(2-morpholin-4-ylethyl)indol-5-yl]urea
SMILESCCCCCCNC(=O)Nc1ccc2c(ccn2CCN2CCOCC2)c1
InChIInChI=1S/C21H32N4O2/c1-2-3-4-5-9-22-21(26)23-19-6-7-20-18(17-19)8-10-25(20)12-11-24-13-15-27-16-14-24/h6-8,10,17H,2-5,9,11-16H2,1H3,(H2,22,23,26)
InChIKeyNZJVMZVHFXEMLX-UHFFFAOYSA-N
XLogP3.68
TPSA58.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.51
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[1-(2-morpholin-4-ylethyl)indol-5-yl]-3-(2-morpholin-4-ylpropyl)urea
CID 56556947
1-[2-(3-methoxyphenoxy)ethyl]-3-[1-(2-morpholin-4-ylethyl)indol-5-yl]urea
CID 56556653
1-(3-hydroxypropyl)-3-(1-propylindol-5-yl)urea
CID 110936400
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-[(4-propan-2-yloxyphenyl)methyl]urea
CID 56557266
2-amino-2-methyl-N-[1-(2-morpholin-4-ylethyl)indol-5-yl]pentanamide;dihydrochloride
CID 119864723
3-amino-2-methyl-N-[1-(2-morpholin-4-ylethyl)indol-5-yl]butanamide;dihydrochloride
CID 120503366
1-[1-(2-morpholin-4-ylethyl)indol-5-yl]-3-(4-phenylbutan-2-yl)urea
CID 56557229
(2R)-N-[1-(2-morpholin-4-ylethyl)indol-5-yl]oxolane-2-carboxamide
CID 94391676
1-(2-morpholin-4-ylethyl)-3-pentylurea
CID 108988288
1-(4-bromophenyl)-3-(4-morpholin-4-ylbutyl)urea
CID 46831361

Frequently Asked Questions

What is the IUPAC name of 1-hexyl-3-[1-(2-morpholin-4-ylethyl)indol-5-yl]urea?
The IUPAC name of 1-hexyl-3-[1-(2-morpholin-4-ylethyl)indol-5-yl]urea (CID 56557196) is 1-hexyl-3-[1-(2-morpholin-4-ylethyl)indol-5-yl]urea.
What is the SMILES notation for 1-hexyl-3-[1-(2-morpholin-4-ylethyl)indol-5-yl]urea?
The canonical SMILES for 1-hexyl-3-[1-(2-morpholin-4-ylethyl)indol-5-yl]urea is CCCCCCNC(=O)Nc1ccc2c(ccn2CCN2CCOCC2)c1.
What is the InChIKey of 1-hexyl-3-[1-(2-morpholin-4-ylethyl)indol-5-yl]urea?
The InChIKey is NZJVMZVHFXEMLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N4O2/c1-2-3-4-5-9-22-21(26)23-19-6-7-20-18(17-19)8-10-25(20)12-11-24-13-15-27-16-14-24/h6-8,10,17H,2-5,9,11-16H2,1H3,(H2,22,23,26).
What are the key properties of 1-hexyl-3-[1-(2-morpholin-4-ylethyl)indol-5-yl]urea?
1-hexyl-3-[1-(2-morpholin-4-ylethyl)indol-5-yl]urea has a molecular weight of 372.51 g/mol, XLogP of 3.68, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hexyl-3-[1-(2-morpholin-4-ylethyl)indol-5-yl]urea is sourced from PubChem (CID 56557196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).