2-[4-[(Z)-(6,8-dimethyl-4-oxochromen-3-ylidene)methyl]-2-methoxyphenoxy]-N-methylacetamide

C22H23NO5 — CID 95041743

IUPAC2-[4-[(Z)-(6,8-dimethyl-4-oxochromen-3-ylidene)methyl]-2-methoxyphenoxy]-N-methylacetamide
SMILESCNC(=O)COc1ccc(/C=C2/COc3c(C)cc(C)cc3C2=O)cc1OC
InChIInChI=1S/C22H23NO5/c1-13-7-14(2)22-17(8-13)21(25)16(11-28-22)9-15-5-6-18(19(10-15)26-4)27-12-20(24)23-3/h5-10H,11-12H2,1-4H3,(H,23,24)/b16-9-
InChIKeyFAVNIGVBHGHXIJ-SXGWCWSVSA-N
MW381.43 g/mol
LogP3.10
Rot. Bonds5

About 2-[4-[(Z)-(6,8-dimethyl-4-oxochromen-3-ylidene)methyl]-2-methoxyphenoxy]-N-methylacetamide

2-[4-[(Z)-(6,8-dimethyl-4-oxochromen-3-ylidene)methyl]-2-methoxyphenoxy]-N-methylacetamide (PubChem CID 95041743) has the molecular formula C22H23NO5 and a molecular weight of 381.43 g/mol. Its IUPAC name is 2-[4-[(Z)-(6,8-dimethyl-4-oxochromen-3-ylidene)methyl]-2-methoxyphenoxy]-N-methylacetamide.

Molecular Properties

Compound Name2-[4-[(Z)-(6,8-dimethyl-4-oxochromen-3-ylidene)methyl]-2-methoxyphenoxy]-N-methylacetamide
PubChem CID95041743
Molecular FormulaC22H23NO5
Molecular Weight381.43 g/mol
Exact Mass381.16
IUPAC Name2-[4-[(Z)-(6,8-dimethyl-4-oxochromen-3-ylidene)methyl]-2-methoxyphenoxy]-N-methylacetamide
SMILESCNC(=O)COc1ccc(/C=C2/COc3c(C)cc(C)cc3C2=O)cc1OC
InChIInChI=1S/C22H23NO5/c1-13-7-14(2)22-17(8-13)21(25)16(11-28-22)9-15-5-6-18(19(10-15)26-4)27-12-20(24)23-3/h5-10H,11-12H2,1-4H3,(H,23,24)/b16-9-
InChIKeyFAVNIGVBHGHXIJ-SXGWCWSVSA-N
XLogP3.10
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.43
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(3E)-3-[(4-ethoxy-3-methoxyphenyl)methylidene]-5,7-dimethylchromen-4-one
CID 60583195
(3Z)-3-[(4-fluorophenyl)methylidene]-6,8-dimethylchromen-4-one
CID 60583295
(3E)-8-methoxy-3-[(4-methylphenyl)methylidene]-6-[(E)-prop-1-enyl]chromen-4-one
CID 139074038
(2Z,5E)-2,5-bis[[4-(2-hydroxyethoxy)-3-methoxyphenyl]methylidene]cyclopentan-1-one
CID 19577762
(3E)-3-[[4-(difluoromethoxy)-3-methoxyphenyl]methylidene]-5,7-dimethylchromen-4-one
CID 60583292
2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]-N-(2,4,6-trimethylphenyl)acetamide
CID 7695867
2-[4-[(Z)-(6-chloro-9-oxo-1,2-dihydropyrrolo[2,1-b]quinazolin-3-ylidene)methyl]-2-methoxyphenoxy]-N-methylacetamide
CID 51117487
(3Z)-3-[(3,4-dimethoxyphenyl)methylidene]-7-methoxychromen-4-one
CID 6857791
2-[4-[(E)-hydroxyiminomethyl]-2-methoxyphenoxy]-N-(2,4,6-trimethylphenyl)acetamide
CID 6903754
2-(2,4-dimethylphenoxy)-N-methylacetamide
CID 965410
2-[2-ethoxy-4-[(Z)-(4-oxochromen-3-ylidene)methyl]phenoxy]-N,N-dimethylacetamide
CID 2697354
N'-[(Z)-[3-methoxy-4-[2-oxo-2-(2,4,6-trimethylanilino)ethoxy]phenyl]methylideneamino]-N-methyloxamide
CID 126159591

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(Z)-(6,8-dimethyl-4-oxochromen-3-ylidene)methyl]-2-methoxyphenoxy]-N-methylacetamide?
The IUPAC name of 2-[4-[(Z)-(6,8-dimethyl-4-oxochromen-3-ylidene)methyl]-2-methoxyphenoxy]-N-methylacetamide (CID 95041743) is 2-[4-[(Z)-(6,8-dimethyl-4-oxochromen-3-ylidene)methyl]-2-methoxyphenoxy]-N-methylacetamide.
What is the SMILES notation for 2-[4-[(Z)-(6,8-dimethyl-4-oxochromen-3-ylidene)methyl]-2-methoxyphenoxy]-N-methylacetamide?
The canonical SMILES for 2-[4-[(Z)-(6,8-dimethyl-4-oxochromen-3-ylidene)methyl]-2-methoxyphenoxy]-N-methylacetamide is CNC(=O)COc1ccc(/C=C2/COc3c(C)cc(C)cc3C2=O)cc1OC.
What is the InChIKey of 2-[4-[(Z)-(6,8-dimethyl-4-oxochromen-3-ylidene)methyl]-2-methoxyphenoxy]-N-methylacetamide?
The InChIKey is FAVNIGVBHGHXIJ-SXGWCWSVSA-N. The full InChI is InChI=1S/C22H23NO5/c1-13-7-14(2)22-17(8-13)21(25)16(11-28-22)9-15-5-6-18(19(10-15)26-4)27-12-20(24)23-3/h5-10H,11-12H2,1-4H3,(H,23,24)/b16-9-.
What are the key properties of 2-[4-[(Z)-(6,8-dimethyl-4-oxochromen-3-ylidene)methyl]-2-methoxyphenoxy]-N-methylacetamide?
2-[4-[(Z)-(6,8-dimethyl-4-oxochromen-3-ylidene)methyl]-2-methoxyphenoxy]-N-methylacetamide has a molecular weight of 381.43 g/mol, XLogP of 3.10, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(Z)-(6,8-dimethyl-4-oxochromen-3-ylidene)methyl]-2-methoxyphenoxy]-N-methylacetamide is sourced from PubChem (CID 95041743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).