N-(2,4-dimethylphenyl)-2-[2-methyl-4-oxo-3-(4-propan-2-ylphenoxy)chromen-7-yl]oxyacetamide

C29H29NO5 — CID 2345718

IUPACN-(2,4-dimethylphenyl)-2-[2-methyl-4-oxo-3-(4-propan-2-ylphenoxy)chromen-7-yl]oxyacetamide
SMILESCc1ccc(NC(=O)COc2ccc3c(=O)c(Oc4ccc(C(C)C)cc4)c(C)oc3c2)c(C)c1
InChIInChI=1S/C29H29NO5/c1-17(2)21-7-9-22(10-8-21)35-29-20(5)34-26-15-23(11-12-24(26)28(29)32)33-16-27(31)30-25-13-6-18(3)14-19(25)4/h6-15,17H,16H2,1-5H3,(H,30,31)
InChIKeyHWJDGOGAOPEADJ-UHFFFAOYSA-N
MW471.55 g/mol
LogP6.65
Rot. Bonds7

About N-(2,4-dimethylphenyl)-2-[2-methyl-4-oxo-3-(4-propan-2-ylphenoxy)chromen-7-yl]oxyacetamide

N-(2,4-dimethylphenyl)-2-[2-methyl-4-oxo-3-(4-propan-2-ylphenoxy)chromen-7-yl]oxyacetamide (PubChem CID 2345718) has the molecular formula C29H29NO5 and a molecular weight of 471.55 g/mol. Its IUPAC name is N-(2,4-dimethylphenyl)-2-[2-methyl-4-oxo-3-(4-propan-2-ylphenoxy)chromen-7-yl]oxyacetamide.

Molecular Properties

Compound NameN-(2,4-dimethylphenyl)-2-[2-methyl-4-oxo-3-(4-propan-2-ylphenoxy)chromen-7-yl]oxyacetamide
PubChem CID2345718
Molecular FormulaC29H29NO5
Molecular Weight471.55 g/mol
Exact Mass471.20
IUPAC NameN-(2,4-dimethylphenyl)-2-[2-methyl-4-oxo-3-(4-propan-2-ylphenoxy)chromen-7-yl]oxyacetamide
SMILESCc1ccc(NC(=O)COc2ccc3c(=O)c(Oc4ccc(C(C)C)cc4)c(C)oc3c2)c(C)c1
InChIInChI=1S/C29H29NO5/c1-17(2)21-7-9-22(10-8-21)35-29-20(5)34-26-15-23(11-12-24(26)28(29)32)33-16-27(31)30-25-13-6-18(3)14-19(25)4/h6-15,17H,16H2,1-5H3,(H,30,31)
InChIKeyHWJDGOGAOPEADJ-UHFFFAOYSA-N
XLogP6.65
TPSA77.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500471.55
LogP ≤ 56.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(2,4-dimethylphenyl)-2-[2-methyl-4-oxo-3-(4-propan-2-ylphenoxy)chromen-7-yl]oxyacetamide with MolForge

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Related Compounds

2-[3-(4-fluorophenoxy)-2-methyl-4-oxochromen-7-yl]oxy-N-(2-fluorophenyl)acetamide
CID 2405473
N-(2,5-dimethoxyphenyl)-2-[2-methyl-4-oxo-3-(4-propan-2-ylphenyl)chromen-7-yl]oxyacetamide
CID 2185121
N-[(2R)-2-hydroxypropyl]-2-(2-methyl-4-oxo-3-phenoxychromen-7-yl)oxyacetamide
CID 41111264
4-[7-(carboxymethoxy)-2-methyl-4-oxochromen-3-yl]oxybenzoic acid
CID 2322568
N-(2,4-dimethylphenyl)-2-(4-methoxyphenoxy)acetamide
CID 625191
2-[[2-(2-methyl-4-oxo-3-phenoxychromen-7-yl)oxyacetyl]amino]-4-methylsulfanylbutanoic acid
CID 45371003
(2R)-2-[[2-(2-methyl-4-oxo-3-phenoxychromen-7-yl)oxyacetyl]amino]-4-methylsulfanylbutanoic acid
CID 51819684
2-(4-bromophenoxy)-N-(2,4-dimethylphenyl)acetamide
CID 874144
[2-oxo-2-(4-propan-2-ylanilino)ethyl] 2-(4-methyl-2-oxochromen-7-yl)oxyacetate
CID 2367621
4-[2-(2,4-dimethylanilino)-2-oxoethoxy]benzoic acid
CID 4026014
2-[3-methyl-4-[[2-(3-propan-2-ylphenoxy)acetyl]amino]phenoxy]acetic acid
CID 119231617
N-(2,4-dimethylphenyl)-2-[(Z)-(4-propan-2-ylphenyl)methylideneamino]oxyacetamide
CID 7702407

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethylphenyl)-2-[2-methyl-4-oxo-3-(4-propan-2-ylphenoxy)chromen-7-yl]oxyacetamide?
The IUPAC name of N-(2,4-dimethylphenyl)-2-[2-methyl-4-oxo-3-(4-propan-2-ylphenoxy)chromen-7-yl]oxyacetamide (CID 2345718) is N-(2,4-dimethylphenyl)-2-[2-methyl-4-oxo-3-(4-propan-2-ylphenoxy)chromen-7-yl]oxyacetamide.
What is the SMILES notation for N-(2,4-dimethylphenyl)-2-[2-methyl-4-oxo-3-(4-propan-2-ylphenoxy)chromen-7-yl]oxyacetamide?
The canonical SMILES for N-(2,4-dimethylphenyl)-2-[2-methyl-4-oxo-3-(4-propan-2-ylphenoxy)chromen-7-yl]oxyacetamide is Cc1ccc(NC(=O)COc2ccc3c(=O)c(Oc4ccc(C(C)C)cc4)c(C)oc3c2)c(C)c1.
What is the InChIKey of N-(2,4-dimethylphenyl)-2-[2-methyl-4-oxo-3-(4-propan-2-ylphenoxy)chromen-7-yl]oxyacetamide?
The InChIKey is HWJDGOGAOPEADJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H29NO5/c1-17(2)21-7-9-22(10-8-21)35-29-20(5)34-26-15-23(11-12-24(26)28(29)32)33-16-27(31)30-25-13-6-18(3)14-19(25)4/h6-15,17H,16H2,1-5H3,(H,30,31).
What are the key properties of N-(2,4-dimethylphenyl)-2-[2-methyl-4-oxo-3-(4-propan-2-ylphenoxy)chromen-7-yl]oxyacetamide?
N-(2,4-dimethylphenyl)-2-[2-methyl-4-oxo-3-(4-propan-2-ylphenoxy)chromen-7-yl]oxyacetamide has a molecular weight of 471.55 g/mol, XLogP of 6.65, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethylphenyl)-2-[2-methyl-4-oxo-3-(4-propan-2-ylphenoxy)chromen-7-yl]oxyacetamide is sourced from PubChem (CID 2345718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).