N-[1-(2-methoxyethyl)indol-4-yl]-3-(7-methoxy-4-methyl-2-oxochromen-6-yl)propanamide

C25H26N2O5 — CID 56763715

IUPACN-[1-(2-methoxyethyl)indol-4-yl]-3-(7-methoxy-4-methyl-2-oxochromen-6-yl)propanamide
SMILESCOCCn1ccc2c(NC(=O)CCc3cc4c(C)cc(=O)oc4cc3OC)cccc21
InChIInChI=1S/C25H26N2O5/c1-16-13-25(29)32-23-15-22(31-3)17(14-19(16)23)7-8-24(28)26-20-5-4-6-21-18(20)9-10-27(21)11-12-30-2/h4-6,9-10,13-15H,7-8,11-12H2,1-3H3,(H,26,28)
InChIKeyWLGGTTMVXBEGDP-UHFFFAOYSA-N
MW434.49 g/mol
LogP4.28
Rot. Bonds8

About N-[1-(2-methoxyethyl)indol-4-yl]-3-(7-methoxy-4-methyl-2-oxochromen-6-yl)propanamide

N-[1-(2-methoxyethyl)indol-4-yl]-3-(7-methoxy-4-methyl-2-oxochromen-6-yl)propanamide (PubChem CID 56763715) has the molecular formula C25H26N2O5 and a molecular weight of 434.49 g/mol. Its IUPAC name is N-[1-(2-methoxyethyl)indol-4-yl]-3-(7-methoxy-4-methyl-2-oxochromen-6-yl)propanamide.

Molecular Properties

Compound NameN-[1-(2-methoxyethyl)indol-4-yl]-3-(7-methoxy-4-methyl-2-oxochromen-6-yl)propanamide
PubChem CID56763715
Molecular FormulaC25H26N2O5
Molecular Weight434.49 g/mol
Exact Mass434.18
IUPAC NameN-[1-(2-methoxyethyl)indol-4-yl]-3-(7-methoxy-4-methyl-2-oxochromen-6-yl)propanamide
SMILESCOCCn1ccc2c(NC(=O)CCc3cc4c(C)cc(=O)oc4cc3OC)cccc21
InChIInChI=1S/C25H26N2O5/c1-16-13-25(29)32-23-15-22(31-3)17(14-19(16)23)7-8-24(28)26-20-5-4-6-21-18(20)9-10-27(21)11-12-30-2/h4-6,9-10,13-15H,7-8,11-12H2,1-3H3,(H,26,28)
InChIKeyWLGGTTMVXBEGDP-UHFFFAOYSA-N
XLogP4.28
TPSA82.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.49
LogP ≤ 54.28
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]-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide
CID 71753500
N-(2-acetylphenyl)-3-(7-methoxy-4-methyl-2-oxochromen-6-yl)propanamide
CID 42581163
N-[2-(2-methoxyethyl)-1-oxoisoquinolin-5-yl]-3-(2-methoxyphenyl)propanamide
CID 59579676
N-[(3-fluorophenyl)methyl]-3-(7-methoxy-4-methyl-2-oxochromen-6-yl)propanamide
CID 71946834
3-(7-methoxy-4-methyl-2-oxochromen-6-yl)-N-(4-methyl-1,3-thiazol-2-yl)propanamide
CID 42536012
methyl (2S)-2-[3-(7-methoxy-4-methyl-2-oxochromen-6-yl)propanoylamino]-3-phenylpropanoate
CID 56723795
2-(4-bromoindol-1-yl)-N-[1-(2-methoxyethyl)indol-4-yl]acetamide
CID 56763638
N-[2-(2-methoxyethyl)-1-oxoisoquinolin-5-yl]-2-(4-methoxy-3-methylphenyl)acetamide
CID 59579483
3-(7-methoxy-4-methyl-2-oxochromen-6-yl)-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]propanamide
CID 42536058
2-(7,8-dimethoxy-1-oxophthalazin-2-yl)-N-[1-(2-methoxyethyl)indol-4-yl]acetamide
CID 75490000
3-(4-chlorophenyl)-N-[2-(2-methoxyethyl)-1-oxoisoquinolin-5-yl]propanamide
CID 59579428
N-[1-(2-methoxyethyl)indol-4-yl]-1-methylindole-6-carboxamide
CID 56763718

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-methoxyethyl)indol-4-yl]-3-(7-methoxy-4-methyl-2-oxochromen-6-yl)propanamide?
The IUPAC name of N-[1-(2-methoxyethyl)indol-4-yl]-3-(7-methoxy-4-methyl-2-oxochromen-6-yl)propanamide (CID 56763715) is N-[1-(2-methoxyethyl)indol-4-yl]-3-(7-methoxy-4-methyl-2-oxochromen-6-yl)propanamide.
What is the SMILES notation for N-[1-(2-methoxyethyl)indol-4-yl]-3-(7-methoxy-4-methyl-2-oxochromen-6-yl)propanamide?
The canonical SMILES for N-[1-(2-methoxyethyl)indol-4-yl]-3-(7-methoxy-4-methyl-2-oxochromen-6-yl)propanamide is COCCn1ccc2c(NC(=O)CCc3cc4c(C)cc(=O)oc4cc3OC)cccc21.
What is the InChIKey of N-[1-(2-methoxyethyl)indol-4-yl]-3-(7-methoxy-4-methyl-2-oxochromen-6-yl)propanamide?
The InChIKey is WLGGTTMVXBEGDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N2O5/c1-16-13-25(29)32-23-15-22(31-3)17(14-19(16)23)7-8-24(28)26-20-5-4-6-21-18(20)9-10-27(21)11-12-30-2/h4-6,9-10,13-15H,7-8,11-12H2,1-3H3,(H,26,28).
What are the key properties of N-[1-(2-methoxyethyl)indol-4-yl]-3-(7-methoxy-4-methyl-2-oxochromen-6-yl)propanamide?
N-[1-(2-methoxyethyl)indol-4-yl]-3-(7-methoxy-4-methyl-2-oxochromen-6-yl)propanamide has a molecular weight of 434.49 g/mol, XLogP of 4.28, 8 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]-3-(7-methoxy-4-methyl-2-oxochromen-6-yl)propanamide is sourced from PubChem (CID 56763715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).