N-[1-(2,5-dimethoxyphenyl)ethyl]-2-(4-ethyl-2-oxochromen-7-yl)oxyacetamide

C23H25NO6 — CID 46676212

IUPACN-[1-(2,5-dimethoxyphenyl)ethyl]-2-(4-ethyl-2-oxochromen-7-yl)oxyacetamide
SMILESCCc1cc(=O)oc2cc(OCC(=O)NC(C)c3cc(OC)ccc3OC)ccc12
InChIInChI=1S/C23H25NO6/c1-5-15-10-23(26)30-21-12-17(6-8-18(15)21)29-13-22(25)24-14(2)19-11-16(27-3)7-9-20(19)28-4/h6-12,14H,5,13H2,1-4H3,(H,24,25)
InChIKeyNMVPIOHULHEEER-UHFFFAOYSA-N
MW411.45 g/mol
LogP3.63
Rot. Bonds8

About N-[1-(2,5-dimethoxyphenyl)ethyl]-2-(4-ethyl-2-oxochromen-7-yl)oxyacetamide

N-[1-(2,5-dimethoxyphenyl)ethyl]-2-(4-ethyl-2-oxochromen-7-yl)oxyacetamide (PubChem CID 46676212) has the molecular formula C23H25NO6 and a molecular weight of 411.45 g/mol. Its IUPAC name is N-[1-(2,5-dimethoxyphenyl)ethyl]-2-(4-ethyl-2-oxochromen-7-yl)oxyacetamide.

Molecular Properties

Compound NameN-[1-(2,5-dimethoxyphenyl)ethyl]-2-(4-ethyl-2-oxochromen-7-yl)oxyacetamide
PubChem CID46676212
Molecular FormulaC23H25NO6
Molecular Weight411.45 g/mol
Exact Mass411.17
IUPAC NameN-[1-(2,5-dimethoxyphenyl)ethyl]-2-(4-ethyl-2-oxochromen-7-yl)oxyacetamide
SMILESCCc1cc(=O)oc2cc(OCC(=O)NC(C)c3cc(OC)ccc3OC)ccc12
InChIInChI=1S/C23H25NO6/c1-5-15-10-23(26)30-21-12-17(6-8-18(15)21)29-13-22(25)24-14(2)19-11-16(27-3)7-9-20(19)28-4/h6-12,14H,5,13H2,1-4H3,(H,24,25)
InChIKeyNMVPIOHULHEEER-UHFFFAOYSA-N
XLogP3.63
TPSA87.00 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.45
LogP ≤ 53.63
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-[(2R)-butan-2-yl]-2-(4-ethyl-2-oxochromen-7-yl)oxyacetamide
CID 7699693
2-dibenzofuran-2-yloxy-N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]acetamide
CID 9229933
2-(4-ethyl-2-oxochromen-7-yl)oxy-N-[(4-methoxyphenyl)methyl]acetamide
CID 7699613
2-(4-ethyl-2-oxochromen-7-yl)oxy-N-[(1S)-1-naphthalen-2-ylethyl]acetamide
CID 7699880
2-(4-ethyl-2-oxochromen-7-yl)oxy-N-(3-methoxyphenyl)acetamide
CID 7699419
2-(4-ethyl-2-oxochromen-7-yl)oxy-N-(3-methylbutyl)acetamide
CID 7699702
2-(4-ethyl-2-oxochromen-7-yl)oxy-N-[1-(4-propan-2-yl-1,2,4-triazol-3-yl)ethyl]acetamide
CID 171915665
2-(4-ethyl-2-oxochromen-7-yl)oxy-N-[(2R)-4-phenylbutan-2-yl]acetamide
CID 2695560
N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-2-(4-ethylphenyl)acetamide
CID 100562771
N-[(1R)-1-(3,4-diethoxyphenyl)ethyl]-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide
CID 7936502
2-(3-chloro-4-fluorophenoxy)-N-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]acetamide
CID 9229558
N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-2-(6-ethyl-1-benzofuran-3-yl)acetamide
CID 9477513

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,5-dimethoxyphenyl)ethyl]-2-(4-ethyl-2-oxochromen-7-yl)oxyacetamide?
The IUPAC name of N-[1-(2,5-dimethoxyphenyl)ethyl]-2-(4-ethyl-2-oxochromen-7-yl)oxyacetamide (CID 46676212) is N-[1-(2,5-dimethoxyphenyl)ethyl]-2-(4-ethyl-2-oxochromen-7-yl)oxyacetamide.
What is the SMILES notation for N-[1-(2,5-dimethoxyphenyl)ethyl]-2-(4-ethyl-2-oxochromen-7-yl)oxyacetamide?
The canonical SMILES for N-[1-(2,5-dimethoxyphenyl)ethyl]-2-(4-ethyl-2-oxochromen-7-yl)oxyacetamide is CCc1cc(=O)oc2cc(OCC(=O)NC(C)c3cc(OC)ccc3OC)ccc12.
What is the InChIKey of N-[1-(2,5-dimethoxyphenyl)ethyl]-2-(4-ethyl-2-oxochromen-7-yl)oxyacetamide?
The InChIKey is NMVPIOHULHEEER-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25NO6/c1-5-15-10-23(26)30-21-12-17(6-8-18(15)21)29-13-22(25)24-14(2)19-11-16(27-3)7-9-20(19)28-4/h6-12,14H,5,13H2,1-4H3,(H,24,25).
What are the key properties of N-[1-(2,5-dimethoxyphenyl)ethyl]-2-(4-ethyl-2-oxochromen-7-yl)oxyacetamide?
N-[1-(2,5-dimethoxyphenyl)ethyl]-2-(4-ethyl-2-oxochromen-7-yl)oxyacetamide has a molecular weight of 411.45 g/mol, XLogP of 3.63, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,5-dimethoxyphenyl)ethyl]-2-(4-ethyl-2-oxochromen-7-yl)oxyacetamide is sourced from PubChem (CID 46676212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).