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

C24H30N4O4 — CID 56556653

IUPAC1-[2-(3-methoxyphenoxy)ethyl]-3-[1-(2-morpholin-4-ylethyl)indol-5-yl]urea
SMILESCOc1cccc(OCCNC(=O)Nc2ccc3c(ccn3CCN3CCOCC3)c2)c1
InChIInChI=1S/C24H30N4O4/c1-30-21-3-2-4-22(18-21)32-14-8-25-24(29)26-20-5-6-23-19(17-20)7-9-28(23)11-10-27-12-15-31-16-13-27/h2-7,9,17-18H,8,10-16H2,1H3,(H2,25,26,29)
InChIKeyFWSGWVDRUMOALO-UHFFFAOYSA-N
MW438.53 g/mol
LogP3.18
Rot. Bonds9

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

1-[2-(3-methoxyphenoxy)ethyl]-3-[1-(2-morpholin-4-ylethyl)indol-5-yl]urea (PubChem CID 56556653) has the molecular formula C24H30N4O4 and a molecular weight of 438.53 g/mol. Its IUPAC name is 1-[2-(3-methoxyphenoxy)ethyl]-3-[1-(2-morpholin-4-ylethyl)indol-5-yl]urea.

Molecular Properties

Compound Name1-[2-(3-methoxyphenoxy)ethyl]-3-[1-(2-morpholin-4-ylethyl)indol-5-yl]urea
PubChem CID56556653
Molecular FormulaC24H30N4O4
Molecular Weight438.53 g/mol
Exact Mass438.23
IUPAC Name1-[2-(3-methoxyphenoxy)ethyl]-3-[1-(2-morpholin-4-ylethyl)indol-5-yl]urea
SMILESCOc1cccc(OCCNC(=O)Nc2ccc3c(ccn3CCN3CCOCC3)c2)c1
InChIInChI=1S/C24H30N4O4/c1-30-21-3-2-4-22(18-21)32-14-8-25-24(29)26-20-5-6-23-19(17-20)7-9-28(23)11-10-27-12-15-31-16-13-27/h2-7,9,17-18H,8,10-16H2,1H3,(H2,25,26,29)
InChIKeyFWSGWVDRUMOALO-UHFFFAOYSA-N
XLogP3.18
TPSA76.99 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.53
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

1-hexyl-3-[1-(2-morpholin-4-ylethyl)indol-5-yl]urea
CID 56557196
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-[1-(2-morpholin-4-ylethyl)indol-5-yl]-3-[(4-propan-2-yloxyphenyl)methyl]urea
CID 56557266
1-[6-(3-methoxyphenoxy)-3-pyridinyl]-3-(2-morpholin-4-ylethyl)urea
CID 72887930
1-[(4-chlorophenyl)methyl]-3-[1-(2-morpholin-4-ylethyl)indol-5-yl]urea
CID 56549716
1-(3,5-dimethoxyphenyl)-3-(2-morpholin-4-ylethyl)urea
CID 16645776
1-[1-(2-morpholin-4-ylethyl)indol-5-yl]-3-(4-phenylbutan-2-yl)urea
CID 56557229
1-(3-chloro-4-fluorophenyl)-3-[2-(3-methoxyphenoxy)ethyl]urea
CID 112971573
3-amino-2-methyl-N-[1-(2-morpholin-4-ylethyl)indol-5-yl]butanamide;dihydrochloride
CID 120503366
2-morpholin-4-ylethyl 2-(3-methoxyphenoxy)acetate;hydrochloride
CID 23620383
1-(3-ethylphenyl)-3-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]urea
CID 48638168

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-methoxyphenoxy)ethyl]-3-[1-(2-morpholin-4-ylethyl)indol-5-yl]urea?
The IUPAC name of 1-[2-(3-methoxyphenoxy)ethyl]-3-[1-(2-morpholin-4-ylethyl)indol-5-yl]urea (CID 56556653) is 1-[2-(3-methoxyphenoxy)ethyl]-3-[1-(2-morpholin-4-ylethyl)indol-5-yl]urea.
What is the SMILES notation for 1-[2-(3-methoxyphenoxy)ethyl]-3-[1-(2-morpholin-4-ylethyl)indol-5-yl]urea?
The canonical SMILES for 1-[2-(3-methoxyphenoxy)ethyl]-3-[1-(2-morpholin-4-ylethyl)indol-5-yl]urea is COc1cccc(OCCNC(=O)Nc2ccc3c(ccn3CCN3CCOCC3)c2)c1.
What is the InChIKey of 1-[2-(3-methoxyphenoxy)ethyl]-3-[1-(2-morpholin-4-ylethyl)indol-5-yl]urea?
The InChIKey is FWSGWVDRUMOALO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N4O4/c1-30-21-3-2-4-22(18-21)32-14-8-25-24(29)26-20-5-6-23-19(17-20)7-9-28(23)11-10-27-12-15-31-16-13-27/h2-7,9,17-18H,8,10-16H2,1H3,(H2,25,26,29).
What are the key properties of 1-[2-(3-methoxyphenoxy)ethyl]-3-[1-(2-morpholin-4-ylethyl)indol-5-yl]urea?
1-[2-(3-methoxyphenoxy)ethyl]-3-[1-(2-morpholin-4-ylethyl)indol-5-yl]urea has a molecular weight of 438.53 g/mol, XLogP of 3.18, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-methoxyphenoxy)ethyl]-3-[1-(2-morpholin-4-ylethyl)indol-5-yl]urea is sourced from PubChem (CID 56556653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).