(2R)-2-(4-cyanophenoxy)-N-[2-(1H-indol-3-yl)ethyl]propanamide

C20H19N3O2 — CID 27645064

IUPAC(2R)-2-(4-cyanophenoxy)-N-[2-(1H-indol-3-yl)ethyl]propanamide
SMILESC[C@@H](Oc1ccc(C#N)cc1)C(=O)NCCc1c[nH]c2ccccc12
InChIInChI=1S/C20H19N3O2/c1-14(25-17-8-6-15(12-21)7-9-17)20(24)22-11-10-16-13-23-19-5-3-2-4-18(16)19/h2-9,13-14,23H,10-11H2,1H3,(H,22,24)/t14-/m1/s1
InChIKeyHMBPIVUDAWWHIZ-CQSZACIVSA-N
MW333.39 g/mol
LogP3.17
Rot. Bonds6

About (2R)-2-(4-cyanophenoxy)-N-[2-(1H-indol-3-yl)ethyl]propanamide

(2R)-2-(4-cyanophenoxy)-N-[2-(1H-indol-3-yl)ethyl]propanamide (PubChem CID 27645064) has the molecular formula C20H19N3O2 and a molecular weight of 333.39 g/mol. Its IUPAC name is (2R)-2-(4-cyanophenoxy)-N-[2-(1H-indol-3-yl)ethyl]propanamide.

Molecular Properties

Compound Name(2R)-2-(4-cyanophenoxy)-N-[2-(1H-indol-3-yl)ethyl]propanamide
PubChem CID27645064
Molecular FormulaC20H19N3O2
Molecular Weight333.39 g/mol
Exact Mass333.15
IUPAC Name(2R)-2-(4-cyanophenoxy)-N-[2-(1H-indol-3-yl)ethyl]propanamide
SMILESC[C@@H](Oc1ccc(C#N)cc1)C(=O)NCCc1c[nH]c2ccccc12
InChIInChI=1S/C20H19N3O2/c1-14(25-17-8-6-15(12-21)7-9-17)20(24)22-11-10-16-13-23-19-5-3-2-4-18(16)19/h2-9,13-14,23H,10-11H2,1H3,(H,22,24)/t14-/m1/s1
InChIKeyHMBPIVUDAWWHIZ-CQSZACIVSA-N
XLogP3.17
TPSA77.91 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-N-[2-(1H-indol-3-yl)ethyl]-2-(2-oxochromen-7-yl)oxypropanamide
CID 7094958
(2R)-N-[2-(1H-indol-3-yl)ethyl]-2-(2-oxochromen-7-yl)oxypropanamide
CID 7094961
4-[2-(1H-indol-3-yl)ethylamino]-2,3-dimethyl-4-oxobutanoic acid
CID 103496413
1-(cyanomethyl)-3-[2-(1H-indol-3-yl)ethyl]urea
CID 108864863
N-[2-(1H-indol-3-yl)ethyl]-N'-(4-propan-2-yloxyphenyl)oxamide
CID 108985760
(2S)-2-amino-N-[2-(1H-indol-3-yl)ethyl]propanamide;hydrochloride
CID 119263369
3-bromo-2-(bromomethyl)-N-[2-(1H-indol-3-yl)ethyl]propanamide
CID 100943042
2-(N-acetyl-4-cyanoanilino)-N-[2-(1H-indol-3-yl)ethyl]acetamide
CID 113181072
(2R)-2-(4-cyanophenoxy)-N-[2-(2,4-dichlorophenyl)ethyl]propanamide
CID 9246467
2-(4-cyanophenoxy)-N-[(2-methoxyphenyl)methyl]propanamide
CID 51143681
[2-[2-(1H-indol-3-yl)ethylamino]-2-oxoethyl] (2S)-2-(3-methylphenoxy)propanoate
CID 8846694
3-(2-cyanophenyl)-N-[2-(1H-indol-3-yl)ethyl]prop-2-ynamide
CID 68945617

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(4-cyanophenoxy)-N-[2-(1H-indol-3-yl)ethyl]propanamide?
The IUPAC name of (2R)-2-(4-cyanophenoxy)-N-[2-(1H-indol-3-yl)ethyl]propanamide (CID 27645064) is (2R)-2-(4-cyanophenoxy)-N-[2-(1H-indol-3-yl)ethyl]propanamide.
What is the SMILES notation for (2R)-2-(4-cyanophenoxy)-N-[2-(1H-indol-3-yl)ethyl]propanamide?
The canonical SMILES for (2R)-2-(4-cyanophenoxy)-N-[2-(1H-indol-3-yl)ethyl]propanamide is C[C@@H](Oc1ccc(C#N)cc1)C(=O)NCCc1c[nH]c2ccccc12.
What is the InChIKey of (2R)-2-(4-cyanophenoxy)-N-[2-(1H-indol-3-yl)ethyl]propanamide?
The InChIKey is HMBPIVUDAWWHIZ-CQSZACIVSA-N. The full InChI is InChI=1S/C20H19N3O2/c1-14(25-17-8-6-15(12-21)7-9-17)20(24)22-11-10-16-13-23-19-5-3-2-4-18(16)19/h2-9,13-14,23H,10-11H2,1H3,(H,22,24)/t14-/m1/s1.
What are the key properties of (2R)-2-(4-cyanophenoxy)-N-[2-(1H-indol-3-yl)ethyl]propanamide?
(2R)-2-(4-cyanophenoxy)-N-[2-(1H-indol-3-yl)ethyl]propanamide has a molecular weight of 333.39 g/mol, XLogP of 3.17, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(4-cyanophenoxy)-N-[2-(1H-indol-3-yl)ethyl]propanamide is sourced from PubChem (CID 27645064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).