2-azido-1-(5-phenylmethoxy-1H-indol-3-yl)ethanone

C17H14N4O2 — CID 10902848

IUPAC2-azido-1-(5-phenylmethoxy-1H-indol-3-yl)ethanone
SMILES[N-]=[N+]=NCC(=O)c1c[nH]c2ccc(OCc3ccccc3)cc12
InChIInChI=1S/C17H14N4O2/c18-21-20-10-17(22)15-9-19-16-7-6-13(8-14(15)16)23-11-12-4-2-1-3-5-12/h1-9,19H,10-11H2
InChIKeyMEPHLZCGWAXVHZ-UHFFFAOYSA-N
MW306.32 g/mol
LogP4.24
Rot. Bonds6

About 2-azido-1-(5-phenylmethoxy-1H-indol-3-yl)ethanone

2-azido-1-(5-phenylmethoxy-1H-indol-3-yl)ethanone (PubChem CID 10902848) has the molecular formula C17H14N4O2 and a molecular weight of 306.32 g/mol. Its IUPAC name is 2-azido-1-(5-phenylmethoxy-1H-indol-3-yl)ethanone.

Molecular Properties

Compound Name2-azido-1-(5-phenylmethoxy-1H-indol-3-yl)ethanone
PubChem CID10902848
Molecular FormulaC17H14N4O2
Molecular Weight306.32 g/mol
Exact Mass306.11
IUPAC Name2-azido-1-(5-phenylmethoxy-1H-indol-3-yl)ethanone
SMILES[N-]=[N+]=NCC(=O)c1c[nH]c2ccc(OCc3ccccc3)cc12
InChIInChI=1S/C17H14N4O2/c18-21-20-10-17(22)15-9-19-16-7-6-13(8-14(15)16)23-11-12-4-2-1-3-5-12/h1-9,19H,10-11H2
InChIKeyMEPHLZCGWAXVHZ-UHFFFAOYSA-N
XLogP4.24
TPSA90.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.32
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

2-chloro-1-(5-phenylmethoxy-1H-indol-3-yl)ethanone
CID 10891912
3-(dimethylamino)-1-(5-phenylmethoxy-1H-indol-3-yl)propan-1-one
CID 170858023
2-azido-1-(4-phenylmethoxyphenyl)ethanone
CID 71416333
2-(5-phenylmethoxy-1H-indol-3-yl)acetohydrazide
CID 24801935
N-methyl-2-(5-phenylmethoxy-1H-indol-3-yl)ethanamine;oxalic acid
CID 25021298
methyl 6-phenylmethoxy-1H-indole-3-carboxylate
CID 57455165
benzyl 2-(5-phenylmethoxy-1H-indole-3-carbonyl)pyrrolidine-2-carboxylate
CID 19029936
(3R)-1,3-diphenyl-3-(5-phenylmethoxy-1H-indol-3-yl)propan-1-one
CID 50901902
6-[(4-fluorophenyl)methoxy]-4-oxo-1H-quinoline-3-carboxylic acid
CID 70992531
methyl 2-[(5-phenylmethoxy-1H-indol-3-yl)methyl]prop-2-enoate
CID 15946338
(E)-2-phenyl-3-(5-phenylmethoxy-1H-indol-3-yl)prop-2-enamide
CID 71769665
dihydrogen phosphate;2-(5-phenylmethoxy-1H-indol-3-yl)ethylazanium
CID 139051934

Frequently Asked Questions

What is the IUPAC name of 2-azido-1-(5-phenylmethoxy-1H-indol-3-yl)ethanone?
The IUPAC name of 2-azido-1-(5-phenylmethoxy-1H-indol-3-yl)ethanone (CID 10902848) is 2-azido-1-(5-phenylmethoxy-1H-indol-3-yl)ethanone.
What is the SMILES notation for 2-azido-1-(5-phenylmethoxy-1H-indol-3-yl)ethanone?
The canonical SMILES for 2-azido-1-(5-phenylmethoxy-1H-indol-3-yl)ethanone is [N-]=[N+]=NCC(=O)c1c[nH]c2ccc(OCc3ccccc3)cc12.
What is the InChIKey of 2-azido-1-(5-phenylmethoxy-1H-indol-3-yl)ethanone?
The InChIKey is MEPHLZCGWAXVHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N4O2/c18-21-20-10-17(22)15-9-19-16-7-6-13(8-14(15)16)23-11-12-4-2-1-3-5-12/h1-9,19H,10-11H2.
What are the key properties of 2-azido-1-(5-phenylmethoxy-1H-indol-3-yl)ethanone?
2-azido-1-(5-phenylmethoxy-1H-indol-3-yl)ethanone has a molecular weight of 306.32 g/mol, XLogP of 4.24, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-azido-1-(5-phenylmethoxy-1H-indol-3-yl)ethanone is sourced from PubChem (CID 10902848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).