N-[2-[[2-(7-ethyl-1H-indol-3-yl)-2-oxo-1-phenylethyl]amino]ethyl]acetamide

C22H25N3O2 — CID 4826075

IUPACN-[2-[[2-(7-ethyl-1H-indol-3-yl)-2-oxo-1-phenylethyl]amino]ethyl]acetamide
SMILESCCc1cccc2c(C(=O)C(NCCNC(C)=O)c3ccccc3)c[nH]c12
InChIInChI=1S/C22H25N3O2/c1-3-16-10-7-11-18-19(14-25-20(16)18)22(27)21(17-8-5-4-6-9-17)24-13-12-23-15(2)26/h4-11,14,21,24-25H,3,12-13H2,1-2H3,(H,23,26)
InChIKeyBSJVMPKDDVKGAC-UHFFFAOYSA-N
MW363.46 g/mol
LogP3.38
Rot. Bonds8

About N-[2-[[2-(7-ethyl-1H-indol-3-yl)-2-oxo-1-phenylethyl]amino]ethyl]acetamide

N-[2-[[2-(7-ethyl-1H-indol-3-yl)-2-oxo-1-phenylethyl]amino]ethyl]acetamide (PubChem CID 4826075) has the molecular formula C22H25N3O2 and a molecular weight of 363.46 g/mol. Its IUPAC name is N-[2-[[2-(7-ethyl-1H-indol-3-yl)-2-oxo-1-phenylethyl]amino]ethyl]acetamide.

Molecular Properties

Compound NameN-[2-[[2-(7-ethyl-1H-indol-3-yl)-2-oxo-1-phenylethyl]amino]ethyl]acetamide
PubChem CID4826075
Molecular FormulaC22H25N3O2
Molecular Weight363.46 g/mol
Exact Mass363.19
IUPAC NameN-[2-[[2-(7-ethyl-1H-indol-3-yl)-2-oxo-1-phenylethyl]amino]ethyl]acetamide
SMILESCCc1cccc2c(C(=O)C(NCCNC(C)=O)c3ccccc3)c[nH]c12
InChIInChI=1S/C22H25N3O2/c1-3-16-10-7-11-18-19(14-25-20(16)18)22(27)21(17-8-5-4-6-9-17)24-13-12-23-15(2)26/h4-11,14,21,24-25H,3,12-13H2,1-2H3,(H,23,26)
InChIKeyBSJVMPKDDVKGAC-UHFFFAOYSA-N
XLogP3.38
TPSA73.99 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.46
LogP ≤ 53.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(butylamino)-1-(7-ethyl-1H-indol-3-yl)-2-phenylethanone
CID 4849520
1-(7-ethyl-1H-indol-3-yl)-2-[(4-methylphenyl)methylamino]-2-phenylethanone
CID 4851610
5-[[[2-(7-ethyl-1H-indol-3-yl)-2-oxo-1-phenylethyl]amino]methyl]-N,N-dimethylthiophene-2-sulfonamide
CID 24583404
N-[5-[[2-(7-ethyl-1H-indol-3-yl)-2-oxo-1-phenylethyl]amino]-2-methoxyphenyl]methanesulfonamide
CID 55571935
(2S)-2-benzylsulfanyl-1-(7-ethyl-1H-indol-3-yl)-2-phenylethanone
CID 7599064
(2R)-1-(7-chloro-1H-indol-3-yl)-2-[2-(4-methylphenyl)ethylamino]-2-phenylethanone
CID 161062434
[(1S)-2-(7-ethyl-1H-indol-3-yl)-2-oxo-1-phenylethyl] (2S)-2-phenylbutanoate
CID 7811434
1-(7-ethyl-1H-indol-3-yl)-2-(4-fluorophenyl)ethanone
CID 43339295
(2S)-2-cyclopentylsulfanyl-1-(7-ethyl-1H-indol-3-yl)-2-phenylethanone
CID 7599104
[(1S)-2-(7-ethyl-1H-indol-3-yl)-2-oxo-1-phenylethyl] 2-methylbenzoate
CID 7718003
(2R)-1-(1H-indol-3-yl)-2-(2-methoxyethylamino)-2-phenylethanone
CID 9356665
[(1S)-2-(7-ethyl-1H-indol-3-yl)-2-oxo-1-phenylethyl] 3-phenylpropanoate
CID 7654657

Frequently Asked Questions

What is the IUPAC name of N-[2-[[2-(7-ethyl-1H-indol-3-yl)-2-oxo-1-phenylethyl]amino]ethyl]acetamide?
The IUPAC name of N-[2-[[2-(7-ethyl-1H-indol-3-yl)-2-oxo-1-phenylethyl]amino]ethyl]acetamide (CID 4826075) is N-[2-[[2-(7-ethyl-1H-indol-3-yl)-2-oxo-1-phenylethyl]amino]ethyl]acetamide.
What is the SMILES notation for N-[2-[[2-(7-ethyl-1H-indol-3-yl)-2-oxo-1-phenylethyl]amino]ethyl]acetamide?
The canonical SMILES for N-[2-[[2-(7-ethyl-1H-indol-3-yl)-2-oxo-1-phenylethyl]amino]ethyl]acetamide is CCc1cccc2c(C(=O)C(NCCNC(C)=O)c3ccccc3)c[nH]c12.
What is the InChIKey of N-[2-[[2-(7-ethyl-1H-indol-3-yl)-2-oxo-1-phenylethyl]amino]ethyl]acetamide?
The InChIKey is BSJVMPKDDVKGAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O2/c1-3-16-10-7-11-18-19(14-25-20(16)18)22(27)21(17-8-5-4-6-9-17)24-13-12-23-15(2)26/h4-11,14,21,24-25H,3,12-13H2,1-2H3,(H,23,26).
What are the key properties of N-[2-[[2-(7-ethyl-1H-indol-3-yl)-2-oxo-1-phenylethyl]amino]ethyl]acetamide?
N-[2-[[2-(7-ethyl-1H-indol-3-yl)-2-oxo-1-phenylethyl]amino]ethyl]acetamide has a molecular weight of 363.46 g/mol, XLogP of 3.38, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[2-(7-ethyl-1H-indol-3-yl)-2-oxo-1-phenylethyl]amino]ethyl]acetamide is sourced from PubChem (CID 4826075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).