2-(1H-indol-3-yl)-N-[2-oxo-2-(4-phenoxyanilino)ethyl]acetamide

C24H21N3O3 — CID 113000397

IUPAC2-(1H-indol-3-yl)-N-[2-oxo-2-(4-phenoxyanilino)ethyl]acetamide
SMILESO=C(Cc1c[nH]c2ccccc12)NCC(=O)Nc1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C24H21N3O3/c28-23(14-17-15-25-22-9-5-4-8-21(17)22)26-16-24(29)27-18-10-12-20(13-11-18)30-19-6-2-1-3-7-19/h1-13,15,25H,14,16H2,(H,26,28)(H,27,29)
InChIKeyUEJCCOXLGCLCRS-UHFFFAOYSA-N
MW399.45 g/mol
LogP4.26
Rot. Bonds7

About 2-(1H-indol-3-yl)-N-[2-oxo-2-(4-phenoxyanilino)ethyl]acetamide

2-(1H-indol-3-yl)-N-[2-oxo-2-(4-phenoxyanilino)ethyl]acetamide (PubChem CID 113000397) has the molecular formula C24H21N3O3 and a molecular weight of 399.45 g/mol. Its IUPAC name is 2-(1H-indol-3-yl)-N-[2-oxo-2-(4-phenoxyanilino)ethyl]acetamide.

Molecular Properties

Compound Name2-(1H-indol-3-yl)-N-[2-oxo-2-(4-phenoxyanilino)ethyl]acetamide
PubChem CID113000397
Molecular FormulaC24H21N3O3
Molecular Weight399.45 g/mol
Exact Mass399.16
IUPAC Name2-(1H-indol-3-yl)-N-[2-oxo-2-(4-phenoxyanilino)ethyl]acetamide
SMILESO=C(Cc1c[nH]c2ccccc12)NCC(=O)Nc1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C24H21N3O3/c28-23(14-17-15-25-22-9-5-4-8-21(17)22)26-16-24(29)27-18-10-12-20(13-11-18)30-19-6-2-1-3-7-19/h1-13,15,25H,14,16H2,(H,26,28)(H,27,29)
InChIKeyUEJCCOXLGCLCRS-UHFFFAOYSA-N
XLogP4.26
TPSA83.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.45
LogP ≤ 54.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

[2-oxo-2-(4-phenoxyanilino)ethyl] 2-(1H-indol-3-yl)acetate
CID 2383248
N-[2-(4-acetylanilino)-2-oxoethyl]-2-(1H-indol-3-yl)acetamide
CID 112999594
N-[2-(4-cyanoanilino)-2-oxoethyl]-2-(1H-indol-3-yl)acetamide
CID 113002030
2-(1H-indol-3-yl)-N-(4-pyrimidin-2-yloxyphenyl)acetamide
CID 47051345
N-[2-(3-chloro-4-methylanilino)-2-oxoethyl]-2-(1H-indol-3-yl)acetamide
CID 112998163
N-(4-bromophenyl)-2-(1H-indol-3-yl)acetamide
CID 2093840
N-[4-(cyanomethoxy)phenyl]-2-(1H-indol-3-yl)acetamide
CID 30874167
N-(4-ethoxyphenyl)-4-[[2-(1H-indol-3-yl)acetyl]amino]benzamide
CID 7998970
2-(1H-indol-3-yl)-N-[6-(4-methylphenoxy)-3-pyridinyl]acetamide
CID 52649446
2-(1H-indol-3-yl)-N-[4-[(4-methoxyphenyl)methylamino]phenyl]acetamide
CID 112982718
(2-anilino-2-oxoethyl) 2-(1H-indol-3-yl)acetate
CID 2389061
N-(3,4-dihydroxyphenyl)-2-(1H-indol-3-yl)acetamide
CID 170716792

Frequently Asked Questions

What is the IUPAC name of 2-(1H-indol-3-yl)-N-[2-oxo-2-(4-phenoxyanilino)ethyl]acetamide?
The IUPAC name of 2-(1H-indol-3-yl)-N-[2-oxo-2-(4-phenoxyanilino)ethyl]acetamide (CID 113000397) is 2-(1H-indol-3-yl)-N-[2-oxo-2-(4-phenoxyanilino)ethyl]acetamide.
What is the SMILES notation for 2-(1H-indol-3-yl)-N-[2-oxo-2-(4-phenoxyanilino)ethyl]acetamide?
The canonical SMILES for 2-(1H-indol-3-yl)-N-[2-oxo-2-(4-phenoxyanilino)ethyl]acetamide is O=C(Cc1c[nH]c2ccccc12)NCC(=O)Nc1ccc(Oc2ccccc2)cc1.
What is the InChIKey of 2-(1H-indol-3-yl)-N-[2-oxo-2-(4-phenoxyanilino)ethyl]acetamide?
The InChIKey is UEJCCOXLGCLCRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N3O3/c28-23(14-17-15-25-22-9-5-4-8-21(17)22)26-16-24(29)27-18-10-12-20(13-11-18)30-19-6-2-1-3-7-19/h1-13,15,25H,14,16H2,(H,26,28)(H,27,29).
What are the key properties of 2-(1H-indol-3-yl)-N-[2-oxo-2-(4-phenoxyanilino)ethyl]acetamide?
2-(1H-indol-3-yl)-N-[2-oxo-2-(4-phenoxyanilino)ethyl]acetamide has a molecular weight of 399.45 g/mol, XLogP of 4.26, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-indol-3-yl)-N-[2-oxo-2-(4-phenoxyanilino)ethyl]acetamide is sourced from PubChem (CID 113000397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).