N-[1-(2-methoxyethyl)indol-4-yl]-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide

C23H22N2O5 — CID 71753500

IUPACN-[1-(2-methoxyethyl)indol-4-yl]-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide
SMILESCOCCn1ccc2c(NC(=O)COc3ccc4c(C)cc(=O)oc4c3)cccc21
InChIInChI=1S/C23H22N2O5/c1-15-12-23(27)30-21-13-16(6-7-17(15)21)29-14-22(26)24-19-4-3-5-20-18(19)8-9-25(20)10-11-28-2/h3-9,12-13H,10-11,14H2,1-2H3,(H,24,26)
InChIKeyUQMIUNFIEKVPQR-UHFFFAOYSA-N
MW406.44 g/mol
LogP3.72
Rot. Bonds7

About N-[1-(2-methoxyethyl)indol-4-yl]-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide

N-[1-(2-methoxyethyl)indol-4-yl]-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide (PubChem CID 71753500) has the molecular formula C23H22N2O5 and a molecular weight of 406.44 g/mol. Its IUPAC name is N-[1-(2-methoxyethyl)indol-4-yl]-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide.

Molecular Properties

Compound NameN-[1-(2-methoxyethyl)indol-4-yl]-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide
PubChem CID71753500
Molecular FormulaC23H22N2O5
Molecular Weight406.44 g/mol
Exact Mass406.15
IUPAC NameN-[1-(2-methoxyethyl)indol-4-yl]-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide
SMILESCOCCn1ccc2c(NC(=O)COc3ccc4c(C)cc(=O)oc4c3)cccc21
InChIInChI=1S/C23H22N2O5/c1-15-12-23(27)30-21-13-16(6-7-17(15)21)29-14-22(26)24-19-4-3-5-20-18(19)8-9-25(20)10-11-28-2/h3-9,12-13H,10-11,14H2,1-2H3,(H,24,26)
InChIKeyUQMIUNFIEKVPQR-UHFFFAOYSA-N
XLogP3.72
TPSA82.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.44
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[1-(2-methoxyethyl)indol-4-yl]-3-(7-methoxy-4-methyl-2-oxochromen-6-yl)propanamide
CID 56763715
N-(2-fluorophenyl)-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide
CID 863920
N-(2-chlorophenyl)-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide
CID 728654
N-[3-(2-methoxyethyl)-4-oxoquinazolin-6-yl]-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide
CID 71826913
N-(2-tert-butylphenyl)-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide
CID 40597491
N-(2-ethoxyphenyl)-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide
CID 7935078
2-(4-methyl-2-oxochromen-7-yl)oxy-N-quinolin-8-ylacetamide
CID 1283385
2-(4-methyl-2-oxochromen-7-yl)oxy-N-(2-nitrophenyl)acetamide
CID 2925103
N-[2-[(2R)-butan-2-yl]phenyl]-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide
CID 7936147
2-(4-methyl-2-oxochromen-7-yl)oxy-N-[2-(trifluoromethoxy)phenyl]acetamide
CID 16572175
N'-[2-(4-methyl-2-oxochromen-7-yl)oxyacetyl]-2-(4-methylphenoxy)acetohydrazide
CID 19166677
N-ethyl-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide
CID 16524830

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-methoxyethyl)indol-4-yl]-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide?
The IUPAC name of N-[1-(2-methoxyethyl)indol-4-yl]-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide (CID 71753500) is N-[1-(2-methoxyethyl)indol-4-yl]-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide.
What is the SMILES notation for N-[1-(2-methoxyethyl)indol-4-yl]-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide?
The canonical SMILES for N-[1-(2-methoxyethyl)indol-4-yl]-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide is COCCn1ccc2c(NC(=O)COc3ccc4c(C)cc(=O)oc4c3)cccc21.
What is the InChIKey of N-[1-(2-methoxyethyl)indol-4-yl]-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide?
The InChIKey is UQMIUNFIEKVPQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N2O5/c1-15-12-23(27)30-21-13-16(6-7-17(15)21)29-14-22(26)24-19-4-3-5-20-18(19)8-9-25(20)10-11-28-2/h3-9,12-13H,10-11,14H2,1-2H3,(H,24,26).
What are the key properties of N-[1-(2-methoxyethyl)indol-4-yl]-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide?
N-[1-(2-methoxyethyl)indol-4-yl]-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide has a molecular weight of 406.44 g/mol, XLogP of 3.72, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-methoxyethyl)indol-4-yl]-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide is sourced from PubChem (CID 71753500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).