2-(4,7-dimethyl-2-oxochromen-5-yl)oxy-N-[2-(1H-indol-3-yl)ethyl]propanamide

C24H24N2O4 — CID 4965897

IUPAC2-(4,7-dimethyl-2-oxochromen-5-yl)oxy-N-[2-(1H-indol-3-yl)ethyl]propanamide
SMILESCc1cc(OC(C)C(=O)NCCc2c[nH]c3ccccc23)c2c(C)cc(=O)oc2c1
InChIInChI=1S/C24H24N2O4/c1-14-10-20(23-15(2)12-22(27)30-21(23)11-14)29-16(3)24(28)25-9-8-17-13-26-19-7-5-4-6-18(17)19/h4-7,10-13,16,26H,8-9H2,1-3H3,(H,25,28)
InChIKeyMFIFALKLGXNXSM-UHFFFAOYSA-N
MW404.47 g/mol
LogP4.02
Rot. Bonds6

About 2-(4,7-dimethyl-2-oxochromen-5-yl)oxy-N-[2-(1H-indol-3-yl)ethyl]propanamide

2-(4,7-dimethyl-2-oxochromen-5-yl)oxy-N-[2-(1H-indol-3-yl)ethyl]propanamide (PubChem CID 4965897) has the molecular formula C24H24N2O4 and a molecular weight of 404.47 g/mol. Its IUPAC name is 2-(4,7-dimethyl-2-oxochromen-5-yl)oxy-N-[2-(1H-indol-3-yl)ethyl]propanamide.

Molecular Properties

Compound Name2-(4,7-dimethyl-2-oxochromen-5-yl)oxy-N-[2-(1H-indol-3-yl)ethyl]propanamide
PubChem CID4965897
Molecular FormulaC24H24N2O4
Molecular Weight404.47 g/mol
Exact Mass404.17
IUPAC Name2-(4,7-dimethyl-2-oxochromen-5-yl)oxy-N-[2-(1H-indol-3-yl)ethyl]propanamide
SMILESCc1cc(OC(C)C(=O)NCCc2c[nH]c3ccccc23)c2c(C)cc(=O)oc2c1
InChIInChI=1S/C24H24N2O4/c1-14-10-20(23-15(2)12-22(27)30-21(23)11-14)29-16(3)24(28)25-9-8-17-13-26-19-7-5-4-6-18(17)19/h4-7,10-13,16,26H,8-9H2,1-3H3,(H,25,28)
InChIKeyMFIFALKLGXNXSM-UHFFFAOYSA-N
XLogP4.02
TPSA84.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.47
LogP ≤ 54.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(4,7-dimethyl-2-oxochromen-5-yl)oxy-N-[2-(1H-indol-3-yl)ethyl]propanamide?
The IUPAC name of 2-(4,7-dimethyl-2-oxochromen-5-yl)oxy-N-[2-(1H-indol-3-yl)ethyl]propanamide (CID 4965897) is 2-(4,7-dimethyl-2-oxochromen-5-yl)oxy-N-[2-(1H-indol-3-yl)ethyl]propanamide.
What is the SMILES notation for 2-(4,7-dimethyl-2-oxochromen-5-yl)oxy-N-[2-(1H-indol-3-yl)ethyl]propanamide?
The canonical SMILES for 2-(4,7-dimethyl-2-oxochromen-5-yl)oxy-N-[2-(1H-indol-3-yl)ethyl]propanamide is Cc1cc(OC(C)C(=O)NCCc2c[nH]c3ccccc23)c2c(C)cc(=O)oc2c1.
What is the InChIKey of 2-(4,7-dimethyl-2-oxochromen-5-yl)oxy-N-[2-(1H-indol-3-yl)ethyl]propanamide?
The InChIKey is MFIFALKLGXNXSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2O4/c1-14-10-20(23-15(2)12-22(27)30-21(23)11-14)29-16(3)24(28)25-9-8-17-13-26-19-7-5-4-6-18(17)19/h4-7,10-13,16,26H,8-9H2,1-3H3,(H,25,28).
What are the key properties of 2-(4,7-dimethyl-2-oxochromen-5-yl)oxy-N-[2-(1H-indol-3-yl)ethyl]propanamide?
2-(4,7-dimethyl-2-oxochromen-5-yl)oxy-N-[2-(1H-indol-3-yl)ethyl]propanamide has a molecular weight of 404.47 g/mol, XLogP of 4.02, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,7-dimethyl-2-oxochromen-5-yl)oxy-N-[2-(1H-indol-3-yl)ethyl]propanamide is sourced from PubChem (CID 4965897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).