(2-morpholin-4-yl-2-oxo-1-phenylethyl) 4-(1H-indol-3-yl)butanoate

C24H26N2O4 — CID 45353288

IUPAC(2-morpholin-4-yl-2-oxo-1-phenylethyl) 4-(1H-indol-3-yl)butanoate
SMILESO=C(CCCc1c[nH]c2ccccc12)OC(C(=O)N1CCOCC1)c1ccccc1
InChIInChI=1S/C24H26N2O4/c27-22(12-6-9-19-17-25-21-11-5-4-10-20(19)21)30-23(18-7-2-1-3-8-18)24(28)26-13-15-29-16-14-26/h1-5,7-8,10-11,17,23,25H,6,9,12-16H2
InChIKeyNKXNEOCWARKHDL-UHFFFAOYSA-N
MW406.48 g/mol
LogP3.63
Rot. Bonds7

About (2-morpholin-4-yl-2-oxo-1-phenylethyl) 4-(1H-indol-3-yl)butanoate

(2-morpholin-4-yl-2-oxo-1-phenylethyl) 4-(1H-indol-3-yl)butanoate (PubChem CID 45353288) has the molecular formula C24H26N2O4 and a molecular weight of 406.48 g/mol. Its IUPAC name is (2-morpholin-4-yl-2-oxo-1-phenylethyl) 4-(1H-indol-3-yl)butanoate.

Molecular Properties

Compound Name(2-morpholin-4-yl-2-oxo-1-phenylethyl) 4-(1H-indol-3-yl)butanoate
PubChem CID45353288
Molecular FormulaC24H26N2O4
Molecular Weight406.48 g/mol
Exact Mass406.19
IUPAC Name(2-morpholin-4-yl-2-oxo-1-phenylethyl) 4-(1H-indol-3-yl)butanoate
SMILESO=C(CCCc1c[nH]c2ccccc12)OC(C(=O)N1CCOCC1)c1ccccc1
InChIInChI=1S/C24H26N2O4/c27-22(12-6-9-19-17-25-21-11-5-4-10-20(19)21)30-23(18-7-2-1-3-8-18)24(28)26-13-15-29-16-14-26/h1-5,7-8,10-11,17,23,25H,6,9,12-16H2
InChIKeyNKXNEOCWARKHDL-UHFFFAOYSA-N
XLogP3.63
TPSA71.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.48
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2-morpholin-4-yl-2-oxo-1-phenylethyl) 4-(1H-indol-3-yl)butanoate 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

4-(1H-indol-3-yl)-1-morpholin-4-ylbutan-1-one
CID 645040
[(1S)-2-(diethylamino)-2-oxo-1-phenylethyl] 4-(1H-indol-3-yl)butanoate
CID 9416154
[(1R)-2-morpholin-4-yl-2-oxo-1-phenylethyl] 2-(4-chlorophenyl)acetate
CID 7699782
(2-morpholin-4-yl-2-oxo-1-phenylethyl) 2-methyl-1H-indole-3-carboxylate
CID 24519167
4-(1H-indol-3-yl)-1-pyrrolidin-1-ylbutan-1-one
CID 18108564
(2-morpholin-4-yl-2-oxo-1-phenylethyl) 2-(4-fluorophenoxy)acetate
CID 47009421
[(1S)-2-morpholin-4-yl-2-oxo-1-phenylethyl] 2-(2-oxo-1,3-thiazolidin-3-yl)acetate
CID 7632606
3-(1H-indol-3-yl)-N-[2-(morpholine-4-carbonyl)phenyl]propanamide
CID 35326224
4-(1H-indol-3-yl)-1-[(2S)-2-phenylmorpholin-4-yl]butan-1-one
CID 35257736
[1-(4-benzylpiperazin-1-yl)-1-oxopropan-2-yl] 3-(1H-indol-3-yl)propanoate
CID 16569616
[(1S)-2-morpholin-4-yl-2-oxo-1-phenylethyl] 2-(4-ethoxyphenoxy)acetate
CID 7704937
disodium;hydride;4-(1H-indol-3-yl)butanoic acid
CID 174726095

Frequently Asked Questions

What is the IUPAC name of (2-morpholin-4-yl-2-oxo-1-phenylethyl) 4-(1H-indol-3-yl)butanoate?
The IUPAC name of (2-morpholin-4-yl-2-oxo-1-phenylethyl) 4-(1H-indol-3-yl)butanoate (CID 45353288) is (2-morpholin-4-yl-2-oxo-1-phenylethyl) 4-(1H-indol-3-yl)butanoate.
What is the SMILES notation for (2-morpholin-4-yl-2-oxo-1-phenylethyl) 4-(1H-indol-3-yl)butanoate?
The canonical SMILES for (2-morpholin-4-yl-2-oxo-1-phenylethyl) 4-(1H-indol-3-yl)butanoate is O=C(CCCc1c[nH]c2ccccc12)OC(C(=O)N1CCOCC1)c1ccccc1.
What is the InChIKey of (2-morpholin-4-yl-2-oxo-1-phenylethyl) 4-(1H-indol-3-yl)butanoate?
The InChIKey is NKXNEOCWARKHDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O4/c27-22(12-6-9-19-17-25-21-11-5-4-10-20(19)21)30-23(18-7-2-1-3-8-18)24(28)26-13-15-29-16-14-26/h1-5,7-8,10-11,17,23,25H,6,9,12-16H2.
What are the key properties of (2-morpholin-4-yl-2-oxo-1-phenylethyl) 4-(1H-indol-3-yl)butanoate?
(2-morpholin-4-yl-2-oxo-1-phenylethyl) 4-(1H-indol-3-yl)butanoate has a molecular weight of 406.48 g/mol, XLogP of 3.63, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-morpholin-4-yl-2-oxo-1-phenylethyl) 4-(1H-indol-3-yl)butanoate is sourced from PubChem (CID 45353288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).