N-ethyl-3-[8-formyl-7-hydroxy-6-(2-methoxyethoxy)-4-methyl-2-oxochromen-3-yl]propanamide

C19H23NO7 — CID 87407876

IUPACN-ethyl-3-[8-formyl-7-hydroxy-6-(2-methoxyethoxy)-4-methyl-2-oxochromen-3-yl]propanamide
SMILESCCNC(=O)CCc1c(C)c2cc(OCCOC)c(O)c(C=O)c2oc1=O
InChIInChI=1S/C19H23NO7/c1-4-20-16(22)6-5-12-11(2)13-9-15(26-8-7-25-3)17(23)14(10-21)18(13)27-19(12)24/h9-10,23H,4-8H2,1-3H3,(H,20,22)
InChIKeyOXLKDHAZHYFCOZ-UHFFFAOYSA-N
MW377.39 g/mol
LogP1.71
Rot. Bonds9

About N-ethyl-3-[8-formyl-7-hydroxy-6-(2-methoxyethoxy)-4-methyl-2-oxochromen-3-yl]propanamide

N-ethyl-3-[8-formyl-7-hydroxy-6-(2-methoxyethoxy)-4-methyl-2-oxochromen-3-yl]propanamide (PubChem CID 87407876) has the molecular formula C19H23NO7 and a molecular weight of 377.39 g/mol. Its IUPAC name is N-ethyl-3-[8-formyl-7-hydroxy-6-(2-methoxyethoxy)-4-methyl-2-oxochromen-3-yl]propanamide.

Molecular Properties

Compound NameN-ethyl-3-[8-formyl-7-hydroxy-6-(2-methoxyethoxy)-4-methyl-2-oxochromen-3-yl]propanamide
PubChem CID87407876
Molecular FormulaC19H23NO7
Molecular Weight377.39 g/mol
Exact Mass377.15
IUPAC NameN-ethyl-3-[8-formyl-7-hydroxy-6-(2-methoxyethoxy)-4-methyl-2-oxochromen-3-yl]propanamide
SMILESCCNC(=O)CCc1c(C)c2cc(OCCOC)c(O)c(C=O)c2oc1=O
InChIInChI=1S/C19H23NO7/c1-4-20-16(22)6-5-12-11(2)13-9-15(26-8-7-25-3)17(23)14(10-21)18(13)27-19(12)24/h9-10,23H,4-8H2,1-3H3,(H,20,22)
InChIKeyOXLKDHAZHYFCOZ-UHFFFAOYSA-N
XLogP1.71
TPSA115.07 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.39
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-[8-formyl-7-hydroxy-6-(2-methoxyethoxy)-4-methyl-2-oxochromen-3-yl]propanamide?
The IUPAC name of N-ethyl-3-[8-formyl-7-hydroxy-6-(2-methoxyethoxy)-4-methyl-2-oxochromen-3-yl]propanamide (CID 87407876) is N-ethyl-3-[8-formyl-7-hydroxy-6-(2-methoxyethoxy)-4-methyl-2-oxochromen-3-yl]propanamide.
What is the SMILES notation for N-ethyl-3-[8-formyl-7-hydroxy-6-(2-methoxyethoxy)-4-methyl-2-oxochromen-3-yl]propanamide?
The canonical SMILES for N-ethyl-3-[8-formyl-7-hydroxy-6-(2-methoxyethoxy)-4-methyl-2-oxochromen-3-yl]propanamide is CCNC(=O)CCc1c(C)c2cc(OCCOC)c(O)c(C=O)c2oc1=O.
What is the InChIKey of N-ethyl-3-[8-formyl-7-hydroxy-6-(2-methoxyethoxy)-4-methyl-2-oxochromen-3-yl]propanamide?
The InChIKey is OXLKDHAZHYFCOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO7/c1-4-20-16(22)6-5-12-11(2)13-9-15(26-8-7-25-3)17(23)14(10-21)18(13)27-19(12)24/h9-10,23H,4-8H2,1-3H3,(H,20,22).
What are the key properties of N-ethyl-3-[8-formyl-7-hydroxy-6-(2-methoxyethoxy)-4-methyl-2-oxochromen-3-yl]propanamide?
N-ethyl-3-[8-formyl-7-hydroxy-6-(2-methoxyethoxy)-4-methyl-2-oxochromen-3-yl]propanamide has a molecular weight of 377.39 g/mol, XLogP of 1.71, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-[8-formyl-7-hydroxy-6-(2-methoxyethoxy)-4-methyl-2-oxochromen-3-yl]propanamide is sourced from PubChem (CID 87407876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).