N-[2-(4-hydroxyphenyl)ethyl]-2-[4-(8-methoxy-2-oxochromen-3-yl)phenoxy]acetamide

C26H23NO6 — CID 42507195

IUPACN-[2-(4-hydroxyphenyl)ethyl]-2-[4-(8-methoxy-2-oxochromen-3-yl)phenoxy]acetamide
SMILESCOc1cccc2cc(-c3ccc(OCC(=O)NCCc4ccc(O)cc4)cc3)c(=O)oc12
InChIInChI=1S/C26H23NO6/c1-31-23-4-2-3-19-15-22(26(30)33-25(19)23)18-7-11-21(12-8-18)32-16-24(29)27-14-13-17-5-9-20(28)10-6-17/h2-12,15,28H,13-14,16H2,1H3,(H,27,29)
InChIKeyFELRFQSPJXFGGX-UHFFFAOYSA-N
MW445.47 g/mol
LogP3.91
Rot. Bonds8

About N-[2-(4-hydroxyphenyl)ethyl]-2-[4-(8-methoxy-2-oxochromen-3-yl)phenoxy]acetamide

N-[2-(4-hydroxyphenyl)ethyl]-2-[4-(8-methoxy-2-oxochromen-3-yl)phenoxy]acetamide (PubChem CID 42507195) has the molecular formula C26H23NO6 and a molecular weight of 445.47 g/mol. Its IUPAC name is N-[2-(4-hydroxyphenyl)ethyl]-2-[4-(8-methoxy-2-oxochromen-3-yl)phenoxy]acetamide.

Molecular Properties

Compound NameN-[2-(4-hydroxyphenyl)ethyl]-2-[4-(8-methoxy-2-oxochromen-3-yl)phenoxy]acetamide
PubChem CID42507195
Molecular FormulaC26H23NO6
Molecular Weight445.47 g/mol
Exact Mass445.15
IUPAC NameN-[2-(4-hydroxyphenyl)ethyl]-2-[4-(8-methoxy-2-oxochromen-3-yl)phenoxy]acetamide
SMILESCOc1cccc2cc(-c3ccc(OCC(=O)NCCc4ccc(O)cc4)cc3)c(=O)oc12
InChIInChI=1S/C26H23NO6/c1-31-23-4-2-3-19-15-22(26(30)33-25(19)23)18-7-11-21(12-8-18)32-16-24(29)27-14-13-17-5-9-20(28)10-6-17/h2-12,15,28H,13-14,16H2,1H3,(H,27,29)
InChIKeyFELRFQSPJXFGGX-UHFFFAOYSA-N
XLogP3.91
TPSA98.00 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.47
LogP ≤ 53.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-(2-hydroxy-3-methoxypropyl)-2-[4-(8-methoxy-2-oxochromen-3-yl)phenoxy]acetamide
CID 42648681
8-methoxy-3-[4-[2-(4-methylpiperazin-1-yl)-2-oxoethoxy]phenyl]chromen-2-one
CID 29126866
N-(2,2-dimethyloxan-4-yl)-2-[4-(8-methoxy-2-oxochromen-3-yl)phenoxy]acetamide
CID 56763657
3-[4-[2-(4-hydroxypiperidin-1-yl)-2-oxoethoxy]phenyl]-8-methoxychromen-2-one
CID 42570146
N-[2-(4-fluorophenyl)ethyl]-8-methoxy-2-oxochromene-3-carboxamide
CID 26795926
N-[2-(4-hydroxyphenyl)ethyl]-2-imino-8-methoxychromene-3-carboxamide
CID 70696536
N-[2-(4-methoxyphenyl)ethyl]-2-naphthalen-1-yloxyacetamide
CID 748766
2-(4-ethylphenoxy)-N-[2-(2-methoxyphenyl)ethyl]acetamide
CID 26181298
N-[2-(2-methoxyphenyl)ethyl]-2-naphthalen-2-yloxyacetamide
CID 26181291
3-[4-(4-butoxyphenyl)-1,3-thiazol-2-yl]-8-methoxychromen-2-one
CID 3430818
3-[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethoxy]benzoic acid
CID 45396627
methyl 4-[2-[[2-(4-methoxyphenoxy)acetyl]amino]ethyl]benzoate
CID 36774109

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-hydroxyphenyl)ethyl]-2-[4-(8-methoxy-2-oxochromen-3-yl)phenoxy]acetamide?
The IUPAC name of N-[2-(4-hydroxyphenyl)ethyl]-2-[4-(8-methoxy-2-oxochromen-3-yl)phenoxy]acetamide (CID 42507195) is N-[2-(4-hydroxyphenyl)ethyl]-2-[4-(8-methoxy-2-oxochromen-3-yl)phenoxy]acetamide.
What is the SMILES notation for N-[2-(4-hydroxyphenyl)ethyl]-2-[4-(8-methoxy-2-oxochromen-3-yl)phenoxy]acetamide?
The canonical SMILES for N-[2-(4-hydroxyphenyl)ethyl]-2-[4-(8-methoxy-2-oxochromen-3-yl)phenoxy]acetamide is COc1cccc2cc(-c3ccc(OCC(=O)NCCc4ccc(O)cc4)cc3)c(=O)oc12.
What is the InChIKey of N-[2-(4-hydroxyphenyl)ethyl]-2-[4-(8-methoxy-2-oxochromen-3-yl)phenoxy]acetamide?
The InChIKey is FELRFQSPJXFGGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23NO6/c1-31-23-4-2-3-19-15-22(26(30)33-25(19)23)18-7-11-21(12-8-18)32-16-24(29)27-14-13-17-5-9-20(28)10-6-17/h2-12,15,28H,13-14,16H2,1H3,(H,27,29).
What are the key properties of N-[2-(4-hydroxyphenyl)ethyl]-2-[4-(8-methoxy-2-oxochromen-3-yl)phenoxy]acetamide?
N-[2-(4-hydroxyphenyl)ethyl]-2-[4-(8-methoxy-2-oxochromen-3-yl)phenoxy]acetamide has a molecular weight of 445.47 g/mol, XLogP of 3.91, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-hydroxyphenyl)ethyl]-2-[4-(8-methoxy-2-oxochromen-3-yl)phenoxy]acetamide is sourced from PubChem (CID 42507195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).