(2S)-N-[2-(1H-indol-3-yl)ethyl]-2-(2-oxochromen-7-yl)oxypropanamide

C22H20N2O4 — CID 7094958

IUPAC(2S)-N-[2-(1H-indol-3-yl)ethyl]-2-(2-oxochromen-7-yl)oxypropanamide
SMILESC[C@H](Oc1ccc2ccc(=O)oc2c1)C(=O)NCCc1c[nH]c2ccccc12
InChIInChI=1S/C22H20N2O4/c1-14(27-17-8-6-15-7-9-21(25)28-20(15)12-17)22(26)23-11-10-16-13-24-19-5-3-2-4-18(16)19/h2-9,12-14,24H,10-11H2,1H3,(H,23,26)/t14-/m0/s1
InChIKeyNXHKTEWRXLFZBT-AWEZNQCLSA-N
MW376.41 g/mol
LogP3.40
Rot. Bonds6

About (2S)-N-[2-(1H-indol-3-yl)ethyl]-2-(2-oxochromen-7-yl)oxypropanamide

(2S)-N-[2-(1H-indol-3-yl)ethyl]-2-(2-oxochromen-7-yl)oxypropanamide (PubChem CID 7094958) has the molecular formula C22H20N2O4 and a molecular weight of 376.41 g/mol. Its IUPAC name is (2S)-N-[2-(1H-indol-3-yl)ethyl]-2-(2-oxochromen-7-yl)oxypropanamide.

Molecular Properties

Compound Name(2S)-N-[2-(1H-indol-3-yl)ethyl]-2-(2-oxochromen-7-yl)oxypropanamide
PubChem CID7094958
Molecular FormulaC22H20N2O4
Molecular Weight376.41 g/mol
Exact Mass376.14
IUPAC Name(2S)-N-[2-(1H-indol-3-yl)ethyl]-2-(2-oxochromen-7-yl)oxypropanamide
SMILESC[C@H](Oc1ccc2ccc(=O)oc2c1)C(=O)NCCc1c[nH]c2ccccc12
InChIInChI=1S/C22H20N2O4/c1-14(27-17-8-6-15-7-9-21(25)28-20(15)12-17)22(26)23-11-10-16-13-24-19-5-3-2-4-18(16)19/h2-9,12-14,24H,10-11H2,1H3,(H,23,26)/t14-/m0/s1
InChIKeyNXHKTEWRXLFZBT-AWEZNQCLSA-N
XLogP3.40
TPSA84.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.41
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}

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Related Compounds

(2R)-N-[2-(1H-indol-3-yl)ethyl]-2-(2-oxochromen-7-yl)oxypropanamide
CID 7094961
7-[(2S)-1-(1H-indol-3-yl)-1-oxopropan-2-yl]oxychromen-2-one
CID 7564295
(2R)-2-(4-cyanophenoxy)-N-[2-(1H-indol-3-yl)ethyl]propanamide
CID 27645064
(2R)-N-[2-(4-fluorophenyl)ethyl]-2-(2-oxochromen-7-yl)oxypropanamide
CID 7564685
(2S)-2-(2-oxochromen-7-yl)oxy-N-phenylpropanamide
CID 7564455
4-[2-(1H-indol-3-yl)ethylamino]-2,3-dimethyl-4-oxobutanoic acid
CID 103496413
N-[2-(1H-indol-3-yl)ethyl]-2-oxo-7-propoxychromene-3-carboxamide
CID 134138941
(2S)-3-(1H-indol-3-yl)-2-[[(2R)-2-(4-methyl-2-oxochromen-7-yl)oxypropanoyl]amino]propanoate
CID 6973028
(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
7-[(2-fluorophenyl)methoxy]-N-[2-(1H-indol-3-yl)ethyl]-2-oxochromene-3-carboxamide
CID 134152051
[2-[2-(1H-indol-3-yl)ethylamino]-2-oxoethyl] (2S)-2-(3-methylphenoxy)propanoate
CID 8846694

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[2-(1H-indol-3-yl)ethyl]-2-(2-oxochromen-7-yl)oxypropanamide?
The IUPAC name of (2S)-N-[2-(1H-indol-3-yl)ethyl]-2-(2-oxochromen-7-yl)oxypropanamide (CID 7094958) is (2S)-N-[2-(1H-indol-3-yl)ethyl]-2-(2-oxochromen-7-yl)oxypropanamide.
What is the SMILES notation for (2S)-N-[2-(1H-indol-3-yl)ethyl]-2-(2-oxochromen-7-yl)oxypropanamide?
The canonical SMILES for (2S)-N-[2-(1H-indol-3-yl)ethyl]-2-(2-oxochromen-7-yl)oxypropanamide is C[C@H](Oc1ccc2ccc(=O)oc2c1)C(=O)NCCc1c[nH]c2ccccc12.
What is the InChIKey of (2S)-N-[2-(1H-indol-3-yl)ethyl]-2-(2-oxochromen-7-yl)oxypropanamide?
The InChIKey is NXHKTEWRXLFZBT-AWEZNQCLSA-N. The full InChI is InChI=1S/C22H20N2O4/c1-14(27-17-8-6-15-7-9-21(25)28-20(15)12-17)22(26)23-11-10-16-13-24-19-5-3-2-4-18(16)19/h2-9,12-14,24H,10-11H2,1H3,(H,23,26)/t14-/m0/s1.
What are the key properties of (2S)-N-[2-(1H-indol-3-yl)ethyl]-2-(2-oxochromen-7-yl)oxypropanamide?
(2S)-N-[2-(1H-indol-3-yl)ethyl]-2-(2-oxochromen-7-yl)oxypropanamide has a molecular weight of 376.41 g/mol, XLogP of 3.40, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[2-(1H-indol-3-yl)ethyl]-2-(2-oxochromen-7-yl)oxypropanamide is sourced from PubChem (CID 7094958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).