[(2R)-2-(hydroxymethyl)morpholin-4-yl]-[1-(4-phenylbutyl)indol-3-yl]methanone

C24H28N2O3 — CID 178132778

IUPAC[(2R)-2-(hydroxymethyl)morpholin-4-yl]-[1-(4-phenylbutyl)indol-3-yl]methanone
SMILESO=C(c1cn(CCCCc2ccccc2)c2ccccc12)N1CCO[C@@H](CO)C1
InChIInChI=1S/C24H28N2O3/c27-18-20-16-26(14-15-29-20)24(28)22-17-25(23-12-5-4-11-21(22)23)13-7-6-10-19-8-2-1-3-9-19/h1-5,8-9,11-12,17,20,27H,6-7,10,13-16,18H2/t20-/m1/s1
InChIKeyLGXYLZZEIZZPGE-HXUWFJFHSA-N
MW392.50 g/mol
LogP3.50
Rot. Bonds7

About [(2R)-2-(hydroxymethyl)morpholin-4-yl]-[1-(4-phenylbutyl)indol-3-yl]methanone

[(2R)-2-(hydroxymethyl)morpholin-4-yl]-[1-(4-phenylbutyl)indol-3-yl]methanone (PubChem CID 178132778) has the molecular formula C24H28N2O3 and a molecular weight of 392.50 g/mol. Its IUPAC name is [(2R)-2-(hydroxymethyl)morpholin-4-yl]-[1-(4-phenylbutyl)indol-3-yl]methanone.

Molecular Properties

Compound Name[(2R)-2-(hydroxymethyl)morpholin-4-yl]-[1-(4-phenylbutyl)indol-3-yl]methanone
PubChem CID178132778
Molecular FormulaC24H28N2O3
Molecular Weight392.50 g/mol
Exact Mass392.21
IUPAC Name[(2R)-2-(hydroxymethyl)morpholin-4-yl]-[1-(4-phenylbutyl)indol-3-yl]methanone
SMILESO=C(c1cn(CCCCc2ccccc2)c2ccccc12)N1CCO[C@@H](CO)C1
InChIInChI=1S/C24H28N2O3/c27-18-20-16-26(14-15-29-20)24(28)22-17-25(23-12-5-4-11-21(22)23)13-7-6-10-19-8-2-1-3-9-19/h1-5,8-9,11-12,17,20,27H,6-7,10,13-16,18H2/t20-/m1/s1
InChIKeyLGXYLZZEIZZPGE-HXUWFJFHSA-N
XLogP3.50
TPSA54.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.50
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze [(2R)-2-(hydroxymethyl)morpholin-4-yl]-[1-(4-phenylbutyl)indol-3-yl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[1-[4-(3-chlorophenyl)butyl]indol-3-yl]-morpholin-4-ylmethanone
CID 178132747
2-[(2S)-4-[1-(2-methylpropyl)indole-3-carbonyl]morpholin-2-yl]acetic acid
CID 125151891
[6-fluoro-1-(4-phenylbutyl)indol-3-yl]-morpholin-4-ylmethanone
CID 178132606
2-[4-[1-(2-methylpropyl)indole-3-carbonyl]morpholin-2-yl]acetic acid
CID 119248799
[1-[4-[3-(1-hydroxyethyl)phenyl]butyl]indol-3-yl]-morpholin-4-ylmethanone
CID 178132839
(2-bromophenyl)-[2-(hydroxymethyl)morpholin-4-yl]methanone
CID 81203060
[1-[4-(2-chlorophenyl)butyl]indol-3-yl]-morpholin-4-ylmethanone
CID 178132526
methyl 4-[4-[3-(8-oxa-3-azabicyclo[3.2.1]octane-3-carbonyl)indol-1-yl]butyl]benzoate
CID 178132652
[7-fluoro-6-hydroxy-1-(4-phenylbutyl)indol-3-yl]-morpholin-4-ylmethanone
CID 178132797
(2,3-dihydroxyphenyl)-[2-(hydroxymethyl)morpholin-4-yl]methanone
CID 114344564
(2-aminoquinolin-4-yl)-[2-(hydroxymethyl)morpholin-4-yl]methanone
CID 81213722
morpholin-4-yl-[1-(4-piperidin-4-ylbutyl)indol-3-yl]methanone
CID 178132767

Frequently Asked Questions

What is the IUPAC name of [(2R)-2-(hydroxymethyl)morpholin-4-yl]-[1-(4-phenylbutyl)indol-3-yl]methanone?
The IUPAC name of [(2R)-2-(hydroxymethyl)morpholin-4-yl]-[1-(4-phenylbutyl)indol-3-yl]methanone (CID 178132778) is [(2R)-2-(hydroxymethyl)morpholin-4-yl]-[1-(4-phenylbutyl)indol-3-yl]methanone.
What is the SMILES notation for [(2R)-2-(hydroxymethyl)morpholin-4-yl]-[1-(4-phenylbutyl)indol-3-yl]methanone?
The canonical SMILES for [(2R)-2-(hydroxymethyl)morpholin-4-yl]-[1-(4-phenylbutyl)indol-3-yl]methanone is O=C(c1cn(CCCCc2ccccc2)c2ccccc12)N1CCO[C@@H](CO)C1.
What is the InChIKey of [(2R)-2-(hydroxymethyl)morpholin-4-yl]-[1-(4-phenylbutyl)indol-3-yl]methanone?
The InChIKey is LGXYLZZEIZZPGE-HXUWFJFHSA-N. The full InChI is InChI=1S/C24H28N2O3/c27-18-20-16-26(14-15-29-20)24(28)22-17-25(23-12-5-4-11-21(22)23)13-7-6-10-19-8-2-1-3-9-19/h1-5,8-9,11-12,17,20,27H,6-7,10,13-16,18H2/t20-/m1/s1.
What are the key properties of [(2R)-2-(hydroxymethyl)morpholin-4-yl]-[1-(4-phenylbutyl)indol-3-yl]methanone?
[(2R)-2-(hydroxymethyl)morpholin-4-yl]-[1-(4-phenylbutyl)indol-3-yl]methanone has a molecular weight of 392.50 g/mol, XLogP of 3.50, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-2-(hydroxymethyl)morpholin-4-yl]-[1-(4-phenylbutyl)indol-3-yl]methanone is sourced from PubChem (CID 178132778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).