2-hydroxyimino-N-[2-(1H-indol-3-yl)ethyl]-2-phenylacetamide

C18H17N3O2 — CID 6822271

IUPAC2-hydroxyimino-N-[2-(1H-indol-3-yl)ethyl]-2-phenylacetamide
SMILESO=C(NCCc1c[nH]c2ccccc12)C(=NO)c1ccccc1
InChIInChI=1S/C18H17N3O2/c22-18(17(21-23)13-6-2-1-3-7-13)19-11-10-14-12-20-16-9-5-4-8-15(14)16/h1-9,12,20,23H,10-11H2,(H,19,22)
InChIKeyOFOBJCHWTHRSLG-UHFFFAOYSA-N
MW307.35 g/mol
LogP2.71
Rot. Bonds5

About 2-hydroxyimino-N-[2-(1H-indol-3-yl)ethyl]-2-phenylacetamide

2-hydroxyimino-N-[2-(1H-indol-3-yl)ethyl]-2-phenylacetamide (PubChem CID 6822271) has the molecular formula C18H17N3O2 and a molecular weight of 307.35 g/mol. Its IUPAC name is 2-hydroxyimino-N-[2-(1H-indol-3-yl)ethyl]-2-phenylacetamide.

Molecular Properties

Compound Name2-hydroxyimino-N-[2-(1H-indol-3-yl)ethyl]-2-phenylacetamide
PubChem CID6822271
Molecular FormulaC18H17N3O2
Molecular Weight307.35 g/mol
Exact Mass307.13
IUPAC Name2-hydroxyimino-N-[2-(1H-indol-3-yl)ethyl]-2-phenylacetamide
SMILESO=C(NCCc1c[nH]c2ccccc12)C(=NO)c1ccccc1
InChIInChI=1S/C18H17N3O2/c22-18(17(21-23)13-6-2-1-3-7-13)19-11-10-14-12-20-16-9-5-4-8-15(14)16/h1-9,12,20,23H,10-11H2,(H,19,22)
InChIKeyOFOBJCHWTHRSLG-UHFFFAOYSA-N
XLogP2.71
TPSA77.48 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 52.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-N,4-N-bis[2-(1H-indol-3-yl)ethyl]benzene-1,4-dicarboxamide
CID 42988811
(2Z)-2-hydroxyimino-2-phenyl-N-(2-phenylethyl)acetamide
CID 6401233
N-[2-(1H-indol-3-yl)ethyl]-N'-propan-2-yloxamide
CID 2026350
3-(1H-indol-3-yl)-N-[2-(1H-indol-3-yl)ethyl]propanamide
CID 10664257
(E)-4-[2-(1H-indol-3-yl)ethylamino]-4-phenylbut-3-en-2-one
CID 11833647
ethyl 2-[2-(1H-indol-3-yl)ethylamino]-2-oxoacetate
CID 28710187
N-[2-(1H-indol-3-yl)ethyl]-4-methyl-2-oxopentanamide
CID 20668757
1-(2-hydroxyethyl)-3-[2-(1H-indol-3-yl)ethyl]urea
CID 110894130
N'-[(2-fluorophenyl)methyl]-N-[2-(1H-indol-3-yl)ethyl]oxamide
CID 108531516
N-[6-[2-(1H-indol-3-yl)ethylamino]-6-oxohexyl]benzamide
CID 4144351
N-[2-(1H-indol-3-yl)ethyl]-3-phenylprop-2-ynamide
CID 134217339
1-[2-(1H-indol-3-yl)ethyl]-3-(methoxymethyl)urea
CID 110675938

Frequently Asked Questions

What is the IUPAC name of 2-hydroxyimino-N-[2-(1H-indol-3-yl)ethyl]-2-phenylacetamide?
The IUPAC name of 2-hydroxyimino-N-[2-(1H-indol-3-yl)ethyl]-2-phenylacetamide (CID 6822271) is 2-hydroxyimino-N-[2-(1H-indol-3-yl)ethyl]-2-phenylacetamide.
What is the SMILES notation for 2-hydroxyimino-N-[2-(1H-indol-3-yl)ethyl]-2-phenylacetamide?
The canonical SMILES for 2-hydroxyimino-N-[2-(1H-indol-3-yl)ethyl]-2-phenylacetamide is O=C(NCCc1c[nH]c2ccccc12)C(=NO)c1ccccc1.
What is the InChIKey of 2-hydroxyimino-N-[2-(1H-indol-3-yl)ethyl]-2-phenylacetamide?
The InChIKey is OFOBJCHWTHRSLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O2/c22-18(17(21-23)13-6-2-1-3-7-13)19-11-10-14-12-20-16-9-5-4-8-15(14)16/h1-9,12,20,23H,10-11H2,(H,19,22).
What are the key properties of 2-hydroxyimino-N-[2-(1H-indol-3-yl)ethyl]-2-phenylacetamide?
2-hydroxyimino-N-[2-(1H-indol-3-yl)ethyl]-2-phenylacetamide has a molecular weight of 307.35 g/mol, XLogP of 2.71, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxyimino-N-[2-(1H-indol-3-yl)ethyl]-2-phenylacetamide is sourced from PubChem (CID 6822271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).