N-[3-methoxy-2-(4-methoxyphenyl)-4-oxochromen-6-yl]acetamide

C19H17NO5 — CID 15512805

IUPACN-[3-methoxy-2-(4-methoxyphenyl)-4-oxochromen-6-yl]acetamide
SMILESCOc1ccc(-c2oc3ccc(NC(C)=O)cc3c(=O)c2OC)cc1
InChIInChI=1S/C19H17NO5/c1-11(21)20-13-6-9-16-15(10-13)17(22)19(24-3)18(25-16)12-4-7-14(23-2)8-5-12/h4-10H,1-3H3,(H,20,21)
InChIKeyIXJKLPYTTHIVJV-UHFFFAOYSA-N
MW339.35 g/mol
LogP3.44
Rot. Bonds4

About N-[3-methoxy-2-(4-methoxyphenyl)-4-oxochromen-6-yl]acetamide

N-[3-methoxy-2-(4-methoxyphenyl)-4-oxochromen-6-yl]acetamide (PubChem CID 15512805) has the molecular formula C19H17NO5 and a molecular weight of 339.35 g/mol. Its IUPAC name is N-[3-methoxy-2-(4-methoxyphenyl)-4-oxochromen-6-yl]acetamide.

Molecular Properties

Compound NameN-[3-methoxy-2-(4-methoxyphenyl)-4-oxochromen-6-yl]acetamide
PubChem CID15512805
Molecular FormulaC19H17NO5
Molecular Weight339.35 g/mol
Exact Mass339.11
IUPAC NameN-[3-methoxy-2-(4-methoxyphenyl)-4-oxochromen-6-yl]acetamide
SMILESCOc1ccc(-c2oc3ccc(NC(C)=O)cc3c(=O)c2OC)cc1
InChIInChI=1S/C19H17NO5/c1-11(21)20-13-6-9-16-15(10-13)17(22)19(24-3)18(25-16)12-4-7-14(23-2)8-5-12/h4-10H,1-3H3,(H,20,21)
InChIKeyIXJKLPYTTHIVJV-UHFFFAOYSA-N
XLogP3.44
TPSA77.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.35
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3,6-dimethoxy-2-(4-methoxyphenyl)chromen-4-one
CID 14804651
2-[6-chloro-2-(4-chlorophenyl)-4-oxochromen-3-yl]oxy-N-(4-methoxyphenyl)acetamide
CID 21000470
N-(9-oxoxanthen-2-yl)acetamide
CID 72793124
N-[2-(4-methoxyphenyl)-1,3-benzoxazol-5-yl]acetamide
CID 1146260
2-[6-chloro-2-(4-methoxyphenyl)-7-methyl-4-oxochromen-3-yl]oxy-N-(4-methoxyphenyl)acetamide
CID 21001390
4-methoxy-N-[2-(4-methoxyphenyl)-4-oxochromen-6-yl]benzamide
CID 18568776
methyl 2-[2-(4-methoxyphenyl)-4-oxochromen-3-yl]oxyacetate
CID 2240973
methyl 2-[2-(4-methoxyphenyl)-7-methyl-4-oxochromen-3-yl]oxypropanoate
CID 5172607
N'-[3-hydroxy-2-(4-methoxyphenyl)-4-oxochromen-6-yl]ethanimidamide
CID 66845549
N-(3-chloro-4-methylphenyl)-2-[2-(4-methoxyphenyl)-4-oxochromen-3-yl]oxybutanamide
CID 46303374
2-[2-(4-methoxyphenyl)-6,7-dimethyl-4-oxochromen-3-yl]oxyacetic acid
CID 7742761
2-[2-(4-methoxyphenyl)-4-oxochromen-3-yl]oxy-N-(3-methylphenyl)butanamide
CID 46303370

Frequently Asked Questions

What is the IUPAC name of N-[3-methoxy-2-(4-methoxyphenyl)-4-oxochromen-6-yl]acetamide?
The IUPAC name of N-[3-methoxy-2-(4-methoxyphenyl)-4-oxochromen-6-yl]acetamide (CID 15512805) is N-[3-methoxy-2-(4-methoxyphenyl)-4-oxochromen-6-yl]acetamide.
What is the SMILES notation for N-[3-methoxy-2-(4-methoxyphenyl)-4-oxochromen-6-yl]acetamide?
The canonical SMILES for N-[3-methoxy-2-(4-methoxyphenyl)-4-oxochromen-6-yl]acetamide is COc1ccc(-c2oc3ccc(NC(C)=O)cc3c(=O)c2OC)cc1.
What is the InChIKey of N-[3-methoxy-2-(4-methoxyphenyl)-4-oxochromen-6-yl]acetamide?
The InChIKey is IXJKLPYTTHIVJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17NO5/c1-11(21)20-13-6-9-16-15(10-13)17(22)19(24-3)18(25-16)12-4-7-14(23-2)8-5-12/h4-10H,1-3H3,(H,20,21).
What are the key properties of N-[3-methoxy-2-(4-methoxyphenyl)-4-oxochromen-6-yl]acetamide?
N-[3-methoxy-2-(4-methoxyphenyl)-4-oxochromen-6-yl]acetamide has a molecular weight of 339.35 g/mol, XLogP of 3.44, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-methoxy-2-(4-methoxyphenyl)-4-oxochromen-6-yl]acetamide is sourced from PubChem (CID 15512805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).