amino 4-[5-[(4-cyanophenyl)methoxy]-1H-indol-3-yl]butanoate

C20H19N3O3 — CID 175284289

IUPACamino 4-[5-[(4-cyanophenyl)methoxy]-1H-indol-3-yl]butanoate
SMILESN#Cc1ccc(COc2ccc3[nH]cc(CCCC(=O)ON)c3c2)cc1
InChIInChI=1S/C20H19N3O3/c21-11-14-4-6-15(7-5-14)13-25-17-8-9-19-18(10-17)16(12-23-19)2-1-3-20(24)26-22/h4-10,12,23H,1-3,13,22H2
InChIKeyFCQXIVONRNQXTM-UHFFFAOYSA-N
MW349.39 g/mol
LogP3.36
Rot. Bonds7

About amino 4-[5-[(4-cyanophenyl)methoxy]-1H-indol-3-yl]butanoate

amino 4-[5-[(4-cyanophenyl)methoxy]-1H-indol-3-yl]butanoate (PubChem CID 175284289) has the molecular formula C20H19N3O3 and a molecular weight of 349.39 g/mol. Its IUPAC name is amino 4-[5-[(4-cyanophenyl)methoxy]-1H-indol-3-yl]butanoate.

Molecular Properties

Compound Nameamino 4-[5-[(4-cyanophenyl)methoxy]-1H-indol-3-yl]butanoate
PubChem CID175284289
Molecular FormulaC20H19N3O3
Molecular Weight349.39 g/mol
Exact Mass349.14
IUPAC Nameamino 4-[5-[(4-cyanophenyl)methoxy]-1H-indol-3-yl]butanoate
SMILESN#Cc1ccc(COc2ccc3[nH]cc(CCCC(=O)ON)c3c2)cc1
InChIInChI=1S/C20H19N3O3/c21-11-14-4-6-15(7-5-14)13-25-17-8-9-19-18(10-17)16(12-23-19)2-1-3-20(24)26-22/h4-10,12,23H,1-3,13,22H2
InChIKeyFCQXIVONRNQXTM-UHFFFAOYSA-N
XLogP3.36
TPSA101.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.39
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

amino 4-[5-[(4-carbamimidoylphenyl)methoxy]-1H-indol-3-yl]butanoate
CID 174718374
N-methyl-4-(5-phenylmethoxy-1H-indol-3-yl)butanamide
CID 157150353
2-[5-[(4-iodophenyl)methoxy]-1H-indol-3-yl]ethanamine
CID 154204464
ethyl 4-(5-ethoxycarbonyloxy-1H-indol-3-yl)butanoate
CID 158377062
bis[3-(2-aminoethyl)-1H-indol-5-yl] hexanedioate
CID 57477029
N-methyl-3-(5-phenylmethoxy-1H-indol-3-yl)propan-1-amine
CID 83968706
5-[5-(2-bromoethoxy)-1H-indol-3-yl]pentan-2-one
CID 148521037
N-methyl-2-(5-phenylmethoxy-1H-indol-3-yl)ethanamine;oxalic acid
CID 25021298
2-(5-phenylmethoxy-1H-indol-3-yl)acetohydrazide
CID 24801935
4-[(4-cyanophenoxy)methyl]benzonitrile
CID 7894350
2-[5-[2-[4-(4-cyanophenyl)piperazin-1-yl]-2-oxoethoxy]-1H-indol-3-yl]ethylazanium
CID 137349273
methyl 2-[5-[3-[3-[(4-methylphenyl)methoxy]phenoxy]propoxy]-1H-indol-3-yl]acetate
CID 51038992

Frequently Asked Questions

What is the IUPAC name of amino 4-[5-[(4-cyanophenyl)methoxy]-1H-indol-3-yl]butanoate?
The IUPAC name of amino 4-[5-[(4-cyanophenyl)methoxy]-1H-indol-3-yl]butanoate (CID 175284289) is amino 4-[5-[(4-cyanophenyl)methoxy]-1H-indol-3-yl]butanoate.
What is the SMILES notation for amino 4-[5-[(4-cyanophenyl)methoxy]-1H-indol-3-yl]butanoate?
The canonical SMILES for amino 4-[5-[(4-cyanophenyl)methoxy]-1H-indol-3-yl]butanoate is N#Cc1ccc(COc2ccc3[nH]cc(CCCC(=O)ON)c3c2)cc1.
What is the InChIKey of amino 4-[5-[(4-cyanophenyl)methoxy]-1H-indol-3-yl]butanoate?
The InChIKey is FCQXIVONRNQXTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O3/c21-11-14-4-6-15(7-5-14)13-25-17-8-9-19-18(10-17)16(12-23-19)2-1-3-20(24)26-22/h4-10,12,23H,1-3,13,22H2.
What are the key properties of amino 4-[5-[(4-cyanophenyl)methoxy]-1H-indol-3-yl]butanoate?
amino 4-[5-[(4-cyanophenyl)methoxy]-1H-indol-3-yl]butanoate has a molecular weight of 349.39 g/mol, XLogP of 3.36, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for amino 4-[5-[(4-cyanophenyl)methoxy]-1H-indol-3-yl]butanoate is sourced from PubChem (CID 175284289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).