2-aminooxy-N-[1-(1H-indol-3-yl)-2-phenylmethoxyethyl]acetamide

C19H21N3O3 — CID 71065259

IUPAC2-aminooxy-N-[1-(1H-indol-3-yl)-2-phenylmethoxyethyl]acetamide
SMILESNOCC(=O)NC(COCc1ccccc1)c1c[nH]c2ccccc12
InChIInChI=1S/C19H21N3O3/c20-25-13-19(23)22-18(12-24-11-14-6-2-1-3-7-14)16-10-21-17-9-5-4-8-15(16)17/h1-10,18,21H,11-13,20H2,(H,22,23)
InChIKeyPMCTYOCEABDGAX-UHFFFAOYSA-N
MW339.40 g/mol
LogP2.43
Rot. Bonds8

About 2-aminooxy-N-[1-(1H-indol-3-yl)-2-phenylmethoxyethyl]acetamide

2-aminooxy-N-[1-(1H-indol-3-yl)-2-phenylmethoxyethyl]acetamide (PubChem CID 71065259) has the molecular formula C19H21N3O3 and a molecular weight of 339.40 g/mol. Its IUPAC name is 2-aminooxy-N-[1-(1H-indol-3-yl)-2-phenylmethoxyethyl]acetamide.

Molecular Properties

Compound Name2-aminooxy-N-[1-(1H-indol-3-yl)-2-phenylmethoxyethyl]acetamide
PubChem CID71065259
Molecular FormulaC19H21N3O3
Molecular Weight339.40 g/mol
Exact Mass339.16
IUPAC Name2-aminooxy-N-[1-(1H-indol-3-yl)-2-phenylmethoxyethyl]acetamide
SMILESNOCC(=O)NC(COCc1ccccc1)c1c[nH]c2ccccc12
InChIInChI=1S/C19H21N3O3/c20-25-13-19(23)22-18(12-24-11-14-6-2-1-3-7-14)16-10-21-17-9-5-4-8-15(16)17/h1-10,18,21H,11-13,20H2,(H,22,23)
InChIKeyPMCTYOCEABDGAX-UHFFFAOYSA-N
XLogP2.43
TPSA89.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 52.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

9H-fluoren-9-ylmethyl N-[2-[[1-(1H-indol-3-yl)-2-phenylmethoxyethyl]amino]-2-oxoethoxy]carbamate
CID 59362317
(3R)-3-(1H-indol-3-yl)-3-(phenylmethoxycarbonylamino)propanoic acid
CID 34177615
benzyl N-[1-(1H-indol-3-yl)-3-methylbutyl]carbamate
CID 71746013
benzyl N-[1-(1H-indol-3-yl)pentyl]carbamate
CID 71745840
2-(1H-indol-3-yl)-N'-(2-phenylmethoxyacetyl)acetohydrazide
CID 102603627
methyl (2S)-2-[[(2S)-2-[(2-aminooxyacetyl)amino]-3-phenylpropanoyl]amino]-3-(1H-indol-3-yl)propanoate
CID 170262355
2-aminooxy-N-[(2S)-1-(1H-indol-3-yl)-3-oxopropan-2-yl]acetamide
CID 89438792
benzyl N-[furan-3-yl(1H-indol-3-yl)methyl]carbamate
CID 71745838
benzyl N-[1H-indol-3-yl-(4-methoxyphenyl)methyl]carbamate
CID 71745835
dibenzyl 2-acetamido-2-[1-(1H-indol-3-yl)ethyl]propanedioate
CID 134106953
phenyl 2-[[1-(1H-indol-3-yl)-2-phenylethyl]amino]propanoate
CID 54371151
2-O-benzyl 1-O,1-O-diethyl (2R)-2-(1H-indol-3-yl)ethane-1,1,2-tricarboxylate
CID 11582604

Frequently Asked Questions

What is the IUPAC name of 2-aminooxy-N-[1-(1H-indol-3-yl)-2-phenylmethoxyethyl]acetamide?
The IUPAC name of 2-aminooxy-N-[1-(1H-indol-3-yl)-2-phenylmethoxyethyl]acetamide (CID 71065259) is 2-aminooxy-N-[1-(1H-indol-3-yl)-2-phenylmethoxyethyl]acetamide.
What is the SMILES notation for 2-aminooxy-N-[1-(1H-indol-3-yl)-2-phenylmethoxyethyl]acetamide?
The canonical SMILES for 2-aminooxy-N-[1-(1H-indol-3-yl)-2-phenylmethoxyethyl]acetamide is NOCC(=O)NC(COCc1ccccc1)c1c[nH]c2ccccc12.
What is the InChIKey of 2-aminooxy-N-[1-(1H-indol-3-yl)-2-phenylmethoxyethyl]acetamide?
The InChIKey is PMCTYOCEABDGAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O3/c20-25-13-19(23)22-18(12-24-11-14-6-2-1-3-7-14)16-10-21-17-9-5-4-8-15(16)17/h1-10,18,21H,11-13,20H2,(H,22,23).
What are the key properties of 2-aminooxy-N-[1-(1H-indol-3-yl)-2-phenylmethoxyethyl]acetamide?
2-aminooxy-N-[1-(1H-indol-3-yl)-2-phenylmethoxyethyl]acetamide has a molecular weight of 339.40 g/mol, XLogP of 2.43, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-aminooxy-N-[1-(1H-indol-3-yl)-2-phenylmethoxyethyl]acetamide is sourced from PubChem (CID 71065259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).