2-[1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]-2-oxo-N-(4-phenylbutan-2-yl)acetamide

C26H29N3O4 — CID 4278110

IUPAC2-[1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]-2-oxo-N-(4-phenylbutan-2-yl)acetamide
SMILESCC(CCc1ccccc1)NC(=O)C(=O)c1cn(CC(=O)N2CCOCC2)c2ccccc12
InChIInChI=1S/C26H29N3O4/c1-19(11-12-20-7-3-2-4-8-20)27-26(32)25(31)22-17-29(23-10-6-5-9-21(22)23)18-24(30)28-13-15-33-16-14-28/h2-10,17,19H,11-16,18H2,1H3,(H,27,32)
InChIKeyKRTNILSITZONBB-UHFFFAOYSA-N
MW447.54 g/mol
LogP2.82
Rot. Bonds8

About 2-[1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]-2-oxo-N-(4-phenylbutan-2-yl)acetamide

2-[1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]-2-oxo-N-(4-phenylbutan-2-yl)acetamide (PubChem CID 4278110) has the molecular formula C26H29N3O4 and a molecular weight of 447.54 g/mol. Its IUPAC name is 2-[1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]-2-oxo-N-(4-phenylbutan-2-yl)acetamide.

Molecular Properties

Compound Name2-[1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]-2-oxo-N-(4-phenylbutan-2-yl)acetamide
PubChem CID4278110
Molecular FormulaC26H29N3O4
Molecular Weight447.54 g/mol
Exact Mass447.22
IUPAC Name2-[1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]-2-oxo-N-(4-phenylbutan-2-yl)acetamide
SMILESCC(CCc1ccccc1)NC(=O)C(=O)c1cn(CC(=O)N2CCOCC2)c2ccccc12
InChIInChI=1S/C26H29N3O4/c1-19(11-12-20-7-3-2-4-8-20)27-26(32)25(31)22-17-29(23-10-6-5-9-21(22)23)18-24(30)28-13-15-33-16-14-28/h2-10,17,19H,11-16,18H2,1H3,(H,27,32)
InChIKeyKRTNILSITZONBB-UHFFFAOYSA-N
XLogP2.82
TPSA80.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.54
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(4-acetamidophenyl)-2-[1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]-2-oxoacetamide
CID 18562361
N-(2,2-dimethoxyethyl)-2-[1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]-2-oxoacetamide
CID 40506618
N-[3-[benzyl(methyl)amino]propyl]-2-[1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]-2-oxoacetamide
CID 30288578
2-[1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]-2-oxo-N-(pyridin-3-ylmethyl)acetamide
CID 4277938
N-(4-fluorophenyl)-2-[1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]-2-oxoacetamide
CID 4085759
N-(2-fluorophenyl)-2-[1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]-2-oxoacetamide
CID 4085757
N-[2-(diethylamino)ethyl]-2-[1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]-2-oxoacetamide
CID 7162352
diethyl-[2-[[2-[1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]-2-oxoacetyl]amino]ethyl]azanium
CID 7162351
N-[(1R,2R)-2-methylcyclohexyl]-2-[1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]-2-oxoacetamide
CID 7162355
2-[1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]-2-oxo-N-(thiophen-2-ylmethyl)acetamide
CID 4278105
N-(3-ethoxypropyl)-2-[1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]-2-oxoacetamide
CID 7162350
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]-2-oxoacetamide
CID 16812432

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]-2-oxo-N-(4-phenylbutan-2-yl)acetamide?
The IUPAC name of 2-[1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]-2-oxo-N-(4-phenylbutan-2-yl)acetamide (CID 4278110) is 2-[1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]-2-oxo-N-(4-phenylbutan-2-yl)acetamide.
What is the SMILES notation for 2-[1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]-2-oxo-N-(4-phenylbutan-2-yl)acetamide?
The canonical SMILES for 2-[1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]-2-oxo-N-(4-phenylbutan-2-yl)acetamide is CC(CCc1ccccc1)NC(=O)C(=O)c1cn(CC(=O)N2CCOCC2)c2ccccc12.
What is the InChIKey of 2-[1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]-2-oxo-N-(4-phenylbutan-2-yl)acetamide?
The InChIKey is KRTNILSITZONBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N3O4/c1-19(11-12-20-7-3-2-4-8-20)27-26(32)25(31)22-17-29(23-10-6-5-9-21(22)23)18-24(30)28-13-15-33-16-14-28/h2-10,17,19H,11-16,18H2,1H3,(H,27,32).
What are the key properties of 2-[1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]-2-oxo-N-(4-phenylbutan-2-yl)acetamide?
2-[1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]-2-oxo-N-(4-phenylbutan-2-yl)acetamide has a molecular weight of 447.54 g/mol, XLogP of 2.82, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]-2-oxo-N-(4-phenylbutan-2-yl)acetamide is sourced from PubChem (CID 4278110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).