N-benzyl-2-[4-oxo-3-(2,3,5-trimethylphenoxy)chromen-7-yl]oxyacetamide

C27H25NO5 — CID 1193132

IUPACN-benzyl-2-[4-oxo-3-(2,3,5-trimethylphenoxy)chromen-7-yl]oxyacetamide
SMILESCc1cc(C)c(C)c(Oc2coc3cc(OCC(=O)NCc4ccccc4)ccc3c2=O)c1
InChIInChI=1S/C27H25NO5/c1-17-11-18(2)19(3)23(12-17)33-25-15-32-24-13-21(9-10-22(24)27(25)30)31-16-26(29)28-14-20-7-5-4-6-8-20/h4-13,15H,14,16H2,1-3H3,(H,28,29)
InChIKeyDRWJULIYAIFWGT-UHFFFAOYSA-N
MW443.50 g/mol
LogP5.21
Rot. Bonds7

About N-benzyl-2-[4-oxo-3-(2,3,5-trimethylphenoxy)chromen-7-yl]oxyacetamide

N-benzyl-2-[4-oxo-3-(2,3,5-trimethylphenoxy)chromen-7-yl]oxyacetamide (PubChem CID 1193132) has the molecular formula C27H25NO5 and a molecular weight of 443.50 g/mol. Its IUPAC name is N-benzyl-2-[4-oxo-3-(2,3,5-trimethylphenoxy)chromen-7-yl]oxyacetamide.

Molecular Properties

Compound NameN-benzyl-2-[4-oxo-3-(2,3,5-trimethylphenoxy)chromen-7-yl]oxyacetamide
PubChem CID1193132
Molecular FormulaC27H25NO5
Molecular Weight443.50 g/mol
Exact Mass443.17
IUPAC NameN-benzyl-2-[4-oxo-3-(2,3,5-trimethylphenoxy)chromen-7-yl]oxyacetamide
SMILESCc1cc(C)c(C)c(Oc2coc3cc(OCC(=O)NCc4ccccc4)ccc3c2=O)c1
InChIInChI=1S/C27H25NO5/c1-17-11-18(2)19(3)23(12-17)33-25-15-32-24-13-21(9-10-22(24)27(25)30)31-16-26(29)28-14-20-7-5-4-6-8-20/h4-13,15H,14,16H2,1-3H3,(H,28,29)
InChIKeyDRWJULIYAIFWGT-UHFFFAOYSA-N
XLogP5.21
TPSA77.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500443.50
LogP ≤ 55.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-benzyl-2-[4-oxo-3-(2,3,5-trimethylphenoxy)chromen-7-yl]oxyacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[4-oxo-3-(2,3,5-trimethylphenoxy)chromen-7-yl]oxybutanoic acid
CID 20992382
2-[3-(2,4-dimethylphenoxy)-4-oxochromen-7-yl]oxyacetic acid
CID 7745041
2-[[2-[3-(2-bromophenoxy)-4-oxochromen-7-yl]oxyacetyl]amino]acetic acid
CID 7139404
2-[[2-[3-(2-ethoxyphenoxy)-4-oxochromen-7-yl]oxyacetyl]amino]acetate
CID 7139399
N-(2-methylphenyl)-2-[4-oxo-3-(4-propylphenoxy)chromen-7-yl]oxyacetamide
CID 2484172
2-(4-oxo-3-phenylchromen-7-yl)oxy-N-(2,4,6-trimethylphenyl)acetamide
CID 7641806
N-benzyl-2-[3-(4-methylphenoxy)-4-oxo-2-(trifluoromethyl)chromen-7-yl]oxyacetamide
CID 1193495
2-[3-(4-fluorophenoxy)-4-oxochromen-7-yl]oxy-N-propylacetamide
CID 9372561
2-[4-oxo-3-(4-phenylphenoxy)chromen-7-yl]oxyacetic acid
CID 7745073
benzyl 2-[3-(4-methoxyphenoxy)-4-oxochromen-7-yl]oxyacetate
CID 1182996
4-[3-(3,5-dimethylphenoxy)-4-oxochromen-7-yl]oxybutanoic acid
CID 20990110
N-benzyl-2-(6-oxobenzo[c]chromen-3-yl)oxyacetamide
CID 171617266

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[4-oxo-3-(2,3,5-trimethylphenoxy)chromen-7-yl]oxyacetamide?
The IUPAC name of N-benzyl-2-[4-oxo-3-(2,3,5-trimethylphenoxy)chromen-7-yl]oxyacetamide (CID 1193132) is N-benzyl-2-[4-oxo-3-(2,3,5-trimethylphenoxy)chromen-7-yl]oxyacetamide.
What is the SMILES notation for N-benzyl-2-[4-oxo-3-(2,3,5-trimethylphenoxy)chromen-7-yl]oxyacetamide?
The canonical SMILES for N-benzyl-2-[4-oxo-3-(2,3,5-trimethylphenoxy)chromen-7-yl]oxyacetamide is Cc1cc(C)c(C)c(Oc2coc3cc(OCC(=O)NCc4ccccc4)ccc3c2=O)c1.
What is the InChIKey of N-benzyl-2-[4-oxo-3-(2,3,5-trimethylphenoxy)chromen-7-yl]oxyacetamide?
The InChIKey is DRWJULIYAIFWGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25NO5/c1-17-11-18(2)19(3)23(12-17)33-25-15-32-24-13-21(9-10-22(24)27(25)30)31-16-26(29)28-14-20-7-5-4-6-8-20/h4-13,15H,14,16H2,1-3H3,(H,28,29).
What are the key properties of N-benzyl-2-[4-oxo-3-(2,3,5-trimethylphenoxy)chromen-7-yl]oxyacetamide?
N-benzyl-2-[4-oxo-3-(2,3,5-trimethylphenoxy)chromen-7-yl]oxyacetamide has a molecular weight of 443.50 g/mol, XLogP of 5.21, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-[4-oxo-3-(2,3,5-trimethylphenoxy)chromen-7-yl]oxyacetamide is sourced from PubChem (CID 1193132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).