[1-[4-[3-(1-hydroxyethyl)phenyl]butyl]indol-3-yl]-morpholin-4-ylmethanone

C25H30N2O3 — CID 178132839

IUPAC[1-[4-[3-(1-hydroxyethyl)phenyl]butyl]indol-3-yl]-morpholin-4-ylmethanone
SMILESCC(O)c1cccc(CCCCn2cc(C(=O)N3CCOCC3)c3ccccc32)c1
InChIInChI=1S/C25H30N2O3/c1-19(28)21-9-6-8-20(17-21)7-4-5-12-27-18-23(22-10-2-3-11-24(22)27)25(29)26-13-15-30-16-14-26/h2-3,6,8-11,17-19,28H,4-5,7,12-16H2,1H3
InChIKeyPTTZNYXBWJCKSL-UHFFFAOYSA-N
MW406.53 g/mol
LogP4.19
Rot. Bonds7

About [1-[4-[3-(1-hydroxyethyl)phenyl]butyl]indol-3-yl]-morpholin-4-ylmethanone

[1-[4-[3-(1-hydroxyethyl)phenyl]butyl]indol-3-yl]-morpholin-4-ylmethanone (PubChem CID 178132839) has the molecular formula C25H30N2O3 and a molecular weight of 406.53 g/mol. Its IUPAC name is [1-[4-[3-(1-hydroxyethyl)phenyl]butyl]indol-3-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[1-[4-[3-(1-hydroxyethyl)phenyl]butyl]indol-3-yl]-morpholin-4-ylmethanone
PubChem CID178132839
Molecular FormulaC25H30N2O3
Molecular Weight406.53 g/mol
Exact Mass406.23
IUPAC Name[1-[4-[3-(1-hydroxyethyl)phenyl]butyl]indol-3-yl]-morpholin-4-ylmethanone
SMILESCC(O)c1cccc(CCCCn2cc(C(=O)N3CCOCC3)c3ccccc32)c1
InChIInChI=1S/C25H30N2O3/c1-19(28)21-9-6-8-20(17-21)7-4-5-12-27-18-23(22-10-2-3-11-24(22)27)25(29)26-13-15-30-16-14-26/h2-3,6,8-11,17-19,28H,4-5,7,12-16H2,1H3
InChIKeyPTTZNYXBWJCKSL-UHFFFAOYSA-N
XLogP4.19
TPSA54.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.53
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[1-[4-(3-chlorophenyl)butyl]indol-3-yl]-morpholin-4-ylmethanone
CID 178132747
[1-[4-(1H-indol-5-yl)butyl]indol-3-yl]-morpholin-4-ylmethanone
CID 178132538
[6-fluoro-1-(4-phenylbutyl)indol-3-yl]-morpholin-4-ylmethanone
CID 178132606
[1-[4-(2-chlorophenyl)butyl]indol-3-yl]-morpholin-4-ylmethanone
CID 178132526
N-[3-(morpholine-4-carbonyl)-1-(4-phenylbutyl)indol-7-yl]acetamide
CID 178132617
methyl 3-[4-[3-(morpholine-4-carbonyl)pyrrolo[3,2-b]pyridin-1-yl]butyl]benzoate
CID 177244684
[(2R)-2-(hydroxymethyl)morpholin-4-yl]-[1-(4-phenylbutyl)indol-3-yl]methanone
CID 178132778
[4-[4-[6-hydroxy-3-(morpholine-4-carbonyl)indol-1-yl]butyl]phenyl]-morpholin-4-ylmethanone
CID 178132612
morpholin-4-yl-[1-(4-piperidin-4-ylbutyl)indol-3-yl]methanone
CID 178132767
4-[4-[4-methyl-3-(morpholine-4-carbonyl)indol-1-yl]butyl]benzoic acid
CID 178132818
[7-fluoro-6-hydroxy-1-(4-phenylbutyl)indol-3-yl]-morpholin-4-ylmethanone
CID 178132797
morpholin-4-yl-[1-[2-(2-phenylcyclopropyl)ethyl]indol-3-yl]methanone
CID 178132738

Frequently Asked Questions

What is the IUPAC name of [1-[4-[3-(1-hydroxyethyl)phenyl]butyl]indol-3-yl]-morpholin-4-ylmethanone?
The IUPAC name of [1-[4-[3-(1-hydroxyethyl)phenyl]butyl]indol-3-yl]-morpholin-4-ylmethanone (CID 178132839) is [1-[4-[3-(1-hydroxyethyl)phenyl]butyl]indol-3-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [1-[4-[3-(1-hydroxyethyl)phenyl]butyl]indol-3-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [1-[4-[3-(1-hydroxyethyl)phenyl]butyl]indol-3-yl]-morpholin-4-ylmethanone is CC(O)c1cccc(CCCCn2cc(C(=O)N3CCOCC3)c3ccccc32)c1.
What is the InChIKey of [1-[4-[3-(1-hydroxyethyl)phenyl]butyl]indol-3-yl]-morpholin-4-ylmethanone?
The InChIKey is PTTZNYXBWJCKSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N2O3/c1-19(28)21-9-6-8-20(17-21)7-4-5-12-27-18-23(22-10-2-3-11-24(22)27)25(29)26-13-15-30-16-14-26/h2-3,6,8-11,17-19,28H,4-5,7,12-16H2,1H3.
What are the key properties of [1-[4-[3-(1-hydroxyethyl)phenyl]butyl]indol-3-yl]-morpholin-4-ylmethanone?
[1-[4-[3-(1-hydroxyethyl)phenyl]butyl]indol-3-yl]-morpholin-4-ylmethanone has a molecular weight of 406.53 g/mol, XLogP of 4.19, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[4-[3-(1-hydroxyethyl)phenyl]butyl]indol-3-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 178132839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).