N-[2-(1H-indol-3-yl)ethyl]-2-oxo-7-propoxychromene-3-carboxamide

C23H22N2O4 — CID 134138941

IUPACN-[2-(1H-indol-3-yl)ethyl]-2-oxo-7-propoxychromene-3-carboxamide
SMILESCCCOc1ccc2cc(C(=O)NCCc3c[nH]c4ccccc34)c(=O)oc2c1
InChIInChI=1S/C23H22N2O4/c1-2-11-28-17-8-7-15-12-19(23(27)29-21(15)13-17)22(26)24-10-9-16-14-25-20-6-4-3-5-18(16)20/h3-8,12-14,25H,2,9-11H2,1H3,(H,24,26)
InChIKeyGLPUNFLVYZTRNX-UHFFFAOYSA-N
MW390.44 g/mol
LogP4.04
Rot. Bonds7

About N-[2-(1H-indol-3-yl)ethyl]-2-oxo-7-propoxychromene-3-carboxamide

N-[2-(1H-indol-3-yl)ethyl]-2-oxo-7-propoxychromene-3-carboxamide (PubChem CID 134138941) has the molecular formula C23H22N2O4 and a molecular weight of 390.44 g/mol. Its IUPAC name is N-[2-(1H-indol-3-yl)ethyl]-2-oxo-7-propoxychromene-3-carboxamide.

Molecular Properties

Compound NameN-[2-(1H-indol-3-yl)ethyl]-2-oxo-7-propoxychromene-3-carboxamide
PubChem CID134138941
Molecular FormulaC23H22N2O4
Molecular Weight390.44 g/mol
Exact Mass390.16
IUPAC NameN-[2-(1H-indol-3-yl)ethyl]-2-oxo-7-propoxychromene-3-carboxamide
SMILESCCCOc1ccc2cc(C(=O)NCCc3c[nH]c4ccccc34)c(=O)oc2c1
InChIInChI=1S/C23H22N2O4/c1-2-11-28-17-8-7-15-12-19(23(27)29-21(15)13-17)22(26)24-10-9-16-14-25-20-6-4-3-5-18(16)20/h3-8,12-14,25H,2,9-11H2,1H3,(H,24,26)
InChIKeyGLPUNFLVYZTRNX-UHFFFAOYSA-N
XLogP4.04
TPSA84.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.44
LogP ≤ 54.04
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

7-[(2-fluorophenyl)methoxy]-N-[2-(1H-indol-3-yl)ethyl]-2-oxochromene-3-carboxamide
CID 134152051
N-(furan-2-ylmethyl)-2-oxo-7-propoxychromene-3-carboxamide
CID 5263602
N-tert-butyl-2-oxo-7-propoxychromene-3-carboxamide
CID 5263306
2-oxo-N-[(4-propoxyphenyl)methyl]chromene-3-carboxamide
CID 110793766
(2R)-N-[2-(1H-indol-3-yl)ethyl]-2-(2-oxochromen-7-yl)oxypropanamide
CID 7094961
(2S)-N-[2-(1H-indol-3-yl)ethyl]-2-(2-oxochromen-7-yl)oxypropanamide
CID 7094958
N-(4-butylphenyl)-2-oxo-7-propoxychromene-3-carboxamide
CID 5263305
5-hydroxy-N-[2-(5-propoxy-1H-indol-3-yl)ethyl]pyrimidine-2-carboxamide
CID 167870343
N-(2,4-dimethylphenyl)-2-oxo-7-propoxychromene-3-carboxamide
CID 5263540
3,4,5-triethoxy-N-[2-(1H-indol-3-yl)ethyl]benzamide
CID 27645186
2-oxo-N-(4-propoxyphenyl)chromene-3-carboxamide
CID 110493370
N-[1-amino-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-2-[6-[(7-methoxy-2-oxochromene-3-carbonyl)amino]hexanoylamino]pentanediamide
CID 23592974

Frequently Asked Questions

What is the IUPAC name of N-[2-(1H-indol-3-yl)ethyl]-2-oxo-7-propoxychromene-3-carboxamide?
The IUPAC name of N-[2-(1H-indol-3-yl)ethyl]-2-oxo-7-propoxychromene-3-carboxamide (CID 134138941) is N-[2-(1H-indol-3-yl)ethyl]-2-oxo-7-propoxychromene-3-carboxamide.
What is the SMILES notation for N-[2-(1H-indol-3-yl)ethyl]-2-oxo-7-propoxychromene-3-carboxamide?
The canonical SMILES for N-[2-(1H-indol-3-yl)ethyl]-2-oxo-7-propoxychromene-3-carboxamide is CCCOc1ccc2cc(C(=O)NCCc3c[nH]c4ccccc34)c(=O)oc2c1.
What is the InChIKey of N-[2-(1H-indol-3-yl)ethyl]-2-oxo-7-propoxychromene-3-carboxamide?
The InChIKey is GLPUNFLVYZTRNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N2O4/c1-2-11-28-17-8-7-15-12-19(23(27)29-21(15)13-17)22(26)24-10-9-16-14-25-20-6-4-3-5-18(16)20/h3-8,12-14,25H,2,9-11H2,1H3,(H,24,26).
What are the key properties of N-[2-(1H-indol-3-yl)ethyl]-2-oxo-7-propoxychromene-3-carboxamide?
N-[2-(1H-indol-3-yl)ethyl]-2-oxo-7-propoxychromene-3-carboxamide has a molecular weight of 390.44 g/mol, XLogP of 4.04, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1H-indol-3-yl)ethyl]-2-oxo-7-propoxychromene-3-carboxamide is sourced from PubChem (CID 134138941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).