N,N-diethyl-2-oxo-2-[1-[2-oxo-2-(2-phenylethylamino)ethyl]indol-3-yl]acetamide

C24H27N3O3 — CID 5298767

IUPACN,N-diethyl-2-oxo-2-[1-[2-oxo-2-(2-phenylethylamino)ethyl]indol-3-yl]acetamide
SMILESCCN(CC)C(=O)C(=O)c1cn(CC(=O)NCCc2ccccc2)c2ccccc12
InChIInChI=1S/C24H27N3O3/c1-3-26(4-2)24(30)23(29)20-16-27(21-13-9-8-12-19(20)21)17-22(28)25-15-14-18-10-6-5-7-11-18/h5-13,16H,3-4,14-15,17H2,1-2H3,(H,25,28)
InChIKeyULBGJCUPHXZGLV-UHFFFAOYSA-N
MW405.50 g/mol
LogP3.05
Rot. Bonds9

About N,N-diethyl-2-oxo-2-[1-[2-oxo-2-(2-phenylethylamino)ethyl]indol-3-yl]acetamide

N,N-diethyl-2-oxo-2-[1-[2-oxo-2-(2-phenylethylamino)ethyl]indol-3-yl]acetamide (PubChem CID 5298767) has the molecular formula C24H27N3O3 and a molecular weight of 405.50 g/mol. Its IUPAC name is N,N-diethyl-2-oxo-2-[1-[2-oxo-2-(2-phenylethylamino)ethyl]indol-3-yl]acetamide.

Molecular Properties

Compound NameN,N-diethyl-2-oxo-2-[1-[2-oxo-2-(2-phenylethylamino)ethyl]indol-3-yl]acetamide
PubChem CID5298767
Molecular FormulaC24H27N3O3
Molecular Weight405.50 g/mol
Exact Mass405.21
IUPAC NameN,N-diethyl-2-oxo-2-[1-[2-oxo-2-(2-phenylethylamino)ethyl]indol-3-yl]acetamide
SMILESCCN(CC)C(=O)C(=O)c1cn(CC(=O)NCCc2ccccc2)c2ccccc12
InChIInChI=1S/C24H27N3O3/c1-3-26(4-2)24(30)23(29)20-16-27(21-13-9-8-12-19(20)21)17-22(28)25-15-14-18-10-6-5-7-11-18/h5-13,16H,3-4,14-15,17H2,1-2H3,(H,25,28)
InChIKeyULBGJCUPHXZGLV-UHFFFAOYSA-N
XLogP3.05
TPSA71.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.50
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(3-butanoylindol-1-yl)-N-(2-phenylethyl)acetamide
CID 4655442
2-[1-[2-(diethylamino)-2-oxoethyl]indol-3-yl]-N,N-diethyl-2-oxoacetamide
CID 4248908
methyl 2-[3-[2-(diethylamino)-2-oxoacetyl]indol-1-yl]acetate
CID 21380679
N-(2-phenylethyl)-2-[3-(thiophene-2-carbonyl)indol-1-yl]acetamide
CID 1298670
2-[1-[2-(diethylamino)-2-oxoethyl]indol-3-yl]-N,N-dimethyl-2-oxoacetamide
CID 4248907
2-[1-[(4-chlorophenyl)methyl]indol-3-yl]-N,N-diethyl-2-oxoacetamide
CID 5302284
2-(3-cyanoindol-1-yl)-N-(2-phenylethyl)acetamide
CID 46858702
N,N-diethyl-2-oxo-2-[1-(2-oxo-2-piperidin-1-ylethyl)indol-3-yl]acetamide
CID 7066716
2-[1-[2-(azepan-1-yl)-2-oxoethyl]indol-3-yl]-N-benzyl-N-ethyl-2-oxoacetamide
CID 41429642
2-(3-acetylindol-1-yl)-N-propylacetamide
CID 117098452
methyl 1-[2-(2-naphthalen-2-ylethylamino)-2-oxoethyl]indole-3-carboxylate
CID 35028911
2-(1-methylindol-3-yl)-2-oxo-N-(2-phenylethyl)acetamide
CID 4918878

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-oxo-2-[1-[2-oxo-2-(2-phenylethylamino)ethyl]indol-3-yl]acetamide?
The IUPAC name of N,N-diethyl-2-oxo-2-[1-[2-oxo-2-(2-phenylethylamino)ethyl]indol-3-yl]acetamide (CID 5298767) is N,N-diethyl-2-oxo-2-[1-[2-oxo-2-(2-phenylethylamino)ethyl]indol-3-yl]acetamide.
What is the SMILES notation for N,N-diethyl-2-oxo-2-[1-[2-oxo-2-(2-phenylethylamino)ethyl]indol-3-yl]acetamide?
The canonical SMILES for N,N-diethyl-2-oxo-2-[1-[2-oxo-2-(2-phenylethylamino)ethyl]indol-3-yl]acetamide is CCN(CC)C(=O)C(=O)c1cn(CC(=O)NCCc2ccccc2)c2ccccc12.
What is the InChIKey of N,N-diethyl-2-oxo-2-[1-[2-oxo-2-(2-phenylethylamino)ethyl]indol-3-yl]acetamide?
The InChIKey is ULBGJCUPHXZGLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O3/c1-3-26(4-2)24(30)23(29)20-16-27(21-13-9-8-12-19(20)21)17-22(28)25-15-14-18-10-6-5-7-11-18/h5-13,16H,3-4,14-15,17H2,1-2H3,(H,25,28).
What are the key properties of N,N-diethyl-2-oxo-2-[1-[2-oxo-2-(2-phenylethylamino)ethyl]indol-3-yl]acetamide?
N,N-diethyl-2-oxo-2-[1-[2-oxo-2-(2-phenylethylamino)ethyl]indol-3-yl]acetamide has a molecular weight of 405.50 g/mol, XLogP of 3.05, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-oxo-2-[1-[2-oxo-2-(2-phenylethylamino)ethyl]indol-3-yl]acetamide is sourced from PubChem (CID 5298767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).