N-[4-(dimethylamino)phenyl]-2-[2-(4-methoxyphenyl)-6,8-dimethyl-4-oxochromen-3-yl]oxyacetamide

C28H28N2O5 — CID 1409430

IUPACN-[4-(dimethylamino)phenyl]-2-[2-(4-methoxyphenyl)-6,8-dimethyl-4-oxochromen-3-yl]oxyacetamide
SMILESCOc1ccc(-c2oc3c(C)cc(C)cc3c(=O)c2OCC(=O)Nc2ccc(N(C)C)cc2)cc1
InChIInChI=1S/C28H28N2O5/c1-17-14-18(2)26-23(15-17)25(32)28(27(35-26)19-6-12-22(33-5)13-7-19)34-16-24(31)29-20-8-10-21(11-9-20)30(3)4/h6-15H,16H2,1-5H3,(H,29,31)
InChIKeyVIWKYBTZGZFLAQ-UHFFFAOYSA-N
MW472.54 g/mol
LogP5.17
Rot. Bonds7

About N-[4-(dimethylamino)phenyl]-2-[2-(4-methoxyphenyl)-6,8-dimethyl-4-oxochromen-3-yl]oxyacetamide

N-[4-(dimethylamino)phenyl]-2-[2-(4-methoxyphenyl)-6,8-dimethyl-4-oxochromen-3-yl]oxyacetamide (PubChem CID 1409430) has the molecular formula C28H28N2O5 and a molecular weight of 472.54 g/mol. Its IUPAC name is N-[4-(dimethylamino)phenyl]-2-[2-(4-methoxyphenyl)-6,8-dimethyl-4-oxochromen-3-yl]oxyacetamide.

Molecular Properties

Compound NameN-[4-(dimethylamino)phenyl]-2-[2-(4-methoxyphenyl)-6,8-dimethyl-4-oxochromen-3-yl]oxyacetamide
PubChem CID1409430
Molecular FormulaC28H28N2O5
Molecular Weight472.54 g/mol
Exact Mass472.20
IUPAC NameN-[4-(dimethylamino)phenyl]-2-[2-(4-methoxyphenyl)-6,8-dimethyl-4-oxochromen-3-yl]oxyacetamide
SMILESCOc1ccc(-c2oc3c(C)cc(C)cc3c(=O)c2OCC(=O)Nc2ccc(N(C)C)cc2)cc1
InChIInChI=1S/C28H28N2O5/c1-17-14-18(2)26-23(15-17)25(32)28(27(35-26)19-6-12-22(33-5)13-7-19)34-16-24(31)29-20-8-10-21(11-9-20)30(3)4/h6-15H,16H2,1-5H3,(H,29,31)
InChIKeyVIWKYBTZGZFLAQ-UHFFFAOYSA-N
XLogP5.17
TPSA81.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500472.54
LogP ≤ 55.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

2-[6,8-dimethyl-2-(4-methylphenyl)-4-oxochromen-3-yl]oxy-N-(3,5-dimethylphenyl)acetamide
CID 1409338
2-[2-(3,4-dimethoxyphenyl)-6,8-dimethyl-4-oxochromen-3-yl]oxy-N-(4-ethoxyphenyl)acetamide
CID 1409490
2-[6-chloro-2-(4-methoxyphenyl)-7-methyl-4-oxochromen-3-yl]oxy-N-(4-methoxyphenyl)acetamide
CID 21001390
N-[4-(dimethylamino)phenyl]-2-(2,4,6-trimethylphenoxy)acetamide
CID 112978164
N-(4-methoxyphenyl)-2-(2,4,6-trimethylphenoxy)acetamide
CID 877304
2-(4-methoxyphenyl)-6,8-dimethyl-3-[2-(4-methylpiperazin-1-yl)-2-oxoethoxy]chromen-4-one
CID 1409416
2-[6-chloro-2-(4-chlorophenyl)-4-oxochromen-3-yl]oxy-N-(4-methoxyphenyl)acetamide
CID 21000470
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[6,8-dimethyl-2-(4-methylphenyl)-4-oxochromen-3-yl]oxyacetamide
CID 1409332
2-(4-methoxyphenyl)-6,8-dimethyl-3-[2-(3-nitrophenyl)-2-oxoethoxy]chromen-4-one
CID 1409433
2-[2-(2-chlorophenyl)-5,7-dimethyl-4-oxochromen-3-yl]oxy-N-(4-methoxyphenyl)acetamide
CID 1413366
N-[4-(dimethylamino)phenyl]-2-(2,3,5-trimethylphenoxy)acetamide
CID 887503
N-[4-(azepan-1-ylsulfonyl)phenyl]-2-[2-(4-methoxyphenyl)-6,7-dimethyl-4-oxochromen-3-yl]oxyacetamide
CID 20999810

Frequently Asked Questions

What is the IUPAC name of N-[4-(dimethylamino)phenyl]-2-[2-(4-methoxyphenyl)-6,8-dimethyl-4-oxochromen-3-yl]oxyacetamide?
The IUPAC name of N-[4-(dimethylamino)phenyl]-2-[2-(4-methoxyphenyl)-6,8-dimethyl-4-oxochromen-3-yl]oxyacetamide (CID 1409430) is N-[4-(dimethylamino)phenyl]-2-[2-(4-methoxyphenyl)-6,8-dimethyl-4-oxochromen-3-yl]oxyacetamide.
What is the SMILES notation for N-[4-(dimethylamino)phenyl]-2-[2-(4-methoxyphenyl)-6,8-dimethyl-4-oxochromen-3-yl]oxyacetamide?
The canonical SMILES for N-[4-(dimethylamino)phenyl]-2-[2-(4-methoxyphenyl)-6,8-dimethyl-4-oxochromen-3-yl]oxyacetamide is COc1ccc(-c2oc3c(C)cc(C)cc3c(=O)c2OCC(=O)Nc2ccc(N(C)C)cc2)cc1.
What is the InChIKey of N-[4-(dimethylamino)phenyl]-2-[2-(4-methoxyphenyl)-6,8-dimethyl-4-oxochromen-3-yl]oxyacetamide?
The InChIKey is VIWKYBTZGZFLAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28N2O5/c1-17-14-18(2)26-23(15-17)25(32)28(27(35-26)19-6-12-22(33-5)13-7-19)34-16-24(31)29-20-8-10-21(11-9-20)30(3)4/h6-15H,16H2,1-5H3,(H,29,31).
What are the key properties of N-[4-(dimethylamino)phenyl]-2-[2-(4-methoxyphenyl)-6,8-dimethyl-4-oxochromen-3-yl]oxyacetamide?
N-[4-(dimethylamino)phenyl]-2-[2-(4-methoxyphenyl)-6,8-dimethyl-4-oxochromen-3-yl]oxyacetamide has a molecular weight of 472.54 g/mol, XLogP of 5.17, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(dimethylamino)phenyl]-2-[2-(4-methoxyphenyl)-6,8-dimethyl-4-oxochromen-3-yl]oxyacetamide is sourced from PubChem (CID 1409430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).