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

C25H32N4O2 — CID 56557229

IUPAC1-[1-(2-morpholin-4-ylethyl)indol-5-yl]-3-(4-phenylbutan-2-yl)urea
SMILESCC(CCc1ccccc1)NC(=O)Nc1ccc2c(ccn2CCN2CCOCC2)c1
InChIInChI=1S/C25H32N4O2/c1-20(7-8-21-5-3-2-4-6-21)26-25(30)27-23-9-10-24-22(19-23)11-12-29(24)14-13-28-15-17-31-18-16-28/h2-6,9-12,19-20H,7-8,13-18H2,1H3,(H2,26,27,30)
InChIKeySYLWADJZFSAEBU-UHFFFAOYSA-N
MW420.56 g/mol
LogP4.12
Rot. Bonds8

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

1-[1-(2-morpholin-4-ylethyl)indol-5-yl]-3-(4-phenylbutan-2-yl)urea (PubChem CID 56557229) has the molecular formula C25H32N4O2 and a molecular weight of 420.56 g/mol. Its IUPAC name is 1-[1-(2-morpholin-4-ylethyl)indol-5-yl]-3-(4-phenylbutan-2-yl)urea.

Molecular Properties

Compound Name1-[1-(2-morpholin-4-ylethyl)indol-5-yl]-3-(4-phenylbutan-2-yl)urea
PubChem CID56557229
Molecular FormulaC25H32N4O2
Molecular Weight420.56 g/mol
Exact Mass420.25
IUPAC Name1-[1-(2-morpholin-4-ylethyl)indol-5-yl]-3-(4-phenylbutan-2-yl)urea
SMILESCC(CCc1ccccc1)NC(=O)Nc1ccc2c(ccn2CCN2CCOCC2)c1
InChIInChI=1S/C25H32N4O2/c1-20(7-8-21-5-3-2-4-6-21)26-25(30)27-23-9-10-24-22(19-23)11-12-29(24)14-13-28-15-17-31-18-16-28/h2-6,9-12,19-20H,7-8,13-18H2,1H3,(H2,26,27,30)
InChIKeySYLWADJZFSAEBU-UHFFFAOYSA-N
XLogP4.12
TPSA58.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.56
LogP ≤ 54.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[1-(2-morpholin-4-ylethyl)indol-5-yl]-3-(2-morpholin-4-ylpropyl)urea
CID 56556947
N-[3-[[[1-(2-morpholin-4-ylethyl)indol-5-yl]carbamoylamino]methyl]phenyl]acetamide
CID 56556717
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-propan-2-yloxyphenyl)methyl]urea
CID 56557266
1-hexyl-3-[1-(2-morpholin-4-ylethyl)indol-5-yl]urea
CID 56557196
1-[(4-chlorophenyl)methyl]-3-[1-(2-morpholin-4-ylethyl)indol-5-yl]urea
CID 56549716
1-[(2S)-4-morpholin-4-ylbutan-2-yl]-3-(3-phenoxyphenyl)urea
CID 97436919
1-[2-(3-methoxyphenoxy)ethyl]-3-[1-(2-morpholin-4-ylethyl)indol-5-yl]urea
CID 56556653
N-[1-(2-morpholin-4-ylethyl)indol-5-yl]-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide
CID 49498023
4-acetyl-3,5-dimethyl-N-[1-(2-morpholin-4-ylethyl)indol-5-yl]-1H-pyrrole-2-carboxamide
CID 49498040
N-[(2R)-4-phenylbutan-2-yl]-3-(5-pyrrolidin-1-ylsulfonylindol-1-yl)propanamide
CID 92691371
(2R)-N-[1-(2-morpholin-4-ylethyl)indol-5-yl]oxolane-2-carboxamide
CID 94391676

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-morpholin-4-ylethyl)indol-5-yl]-3-(4-phenylbutan-2-yl)urea?
The IUPAC name of 1-[1-(2-morpholin-4-ylethyl)indol-5-yl]-3-(4-phenylbutan-2-yl)urea (CID 56557229) is 1-[1-(2-morpholin-4-ylethyl)indol-5-yl]-3-(4-phenylbutan-2-yl)urea.
What is the SMILES notation for 1-[1-(2-morpholin-4-ylethyl)indol-5-yl]-3-(4-phenylbutan-2-yl)urea?
The canonical SMILES for 1-[1-(2-morpholin-4-ylethyl)indol-5-yl]-3-(4-phenylbutan-2-yl)urea is CC(CCc1ccccc1)NC(=O)Nc1ccc2c(ccn2CCN2CCOCC2)c1.
What is the InChIKey of 1-[1-(2-morpholin-4-ylethyl)indol-5-yl]-3-(4-phenylbutan-2-yl)urea?
The InChIKey is SYLWADJZFSAEBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N4O2/c1-20(7-8-21-5-3-2-4-6-21)26-25(30)27-23-9-10-24-22(19-23)11-12-29(24)14-13-28-15-17-31-18-16-28/h2-6,9-12,19-20H,7-8,13-18H2,1H3,(H2,26,27,30).
What are the key properties of 1-[1-(2-morpholin-4-ylethyl)indol-5-yl]-3-(4-phenylbutan-2-yl)urea?
1-[1-(2-morpholin-4-ylethyl)indol-5-yl]-3-(4-phenylbutan-2-yl)urea has a molecular weight of 420.56 g/mol, XLogP of 4.12, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-morpholin-4-ylethyl)indol-5-yl]-3-(4-phenylbutan-2-yl)urea is sourced from PubChem (CID 56557229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).