N-acetyl-N-[8-(diacetylamino)-3,7-dimethyldibenzofuran-2-yl]acetamide

C22H22N2O5 — CID 58849639

IUPACN-acetyl-N-[8-(diacetylamino)-3,7-dimethyldibenzofuran-2-yl]acetamide
SMILESCC(=O)N(C(C)=O)c1cc2c(cc1C)oc1cc(C)c(N(C(C)=O)C(C)=O)cc12
InChIInChI=1S/C22H22N2O5/c1-11-7-21-17(9-19(11)23(13(3)25)14(4)26)18-10-20(12(2)8-22(18)29-21)24(15(5)27)16(6)28/h7-10H,1-6H3
InChIKeyKMXGQTGPGKSIQS-UHFFFAOYSA-N
MW394.43 g/mol
LogP4.00
Rot. Bonds2

About N-acetyl-N-[8-(diacetylamino)-3,7-dimethyldibenzofuran-2-yl]acetamide

N-acetyl-N-[8-(diacetylamino)-3,7-dimethyldibenzofuran-2-yl]acetamide (PubChem CID 58849639) has the molecular formula C22H22N2O5 and a molecular weight of 394.43 g/mol. Its IUPAC name is N-acetyl-N-[8-(diacetylamino)-3,7-dimethyldibenzofuran-2-yl]acetamide.

Molecular Properties

Compound NameN-acetyl-N-[8-(diacetylamino)-3,7-dimethyldibenzofuran-2-yl]acetamide
PubChem CID58849639
Molecular FormulaC22H22N2O5
Molecular Weight394.43 g/mol
Exact Mass394.15
IUPAC NameN-acetyl-N-[8-(diacetylamino)-3,7-dimethyldibenzofuran-2-yl]acetamide
SMILESCC(=O)N(C(C)=O)c1cc2c(cc1C)oc1cc(C)c(N(C(C)=O)C(C)=O)cc12
InChIInChI=1S/C22H22N2O5/c1-11-7-21-17(9-19(11)23(13(3)25)14(4)26)18-10-20(12(2)8-22(18)29-21)24(15(5)27)16(6)28/h7-10H,1-6H3
InChIKeyKMXGQTGPGKSIQS-UHFFFAOYSA-N
XLogP4.00
TPSA87.90 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.43
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-acetyl-N-[8-(diacetylamino)-3,7-dimethyldibenzofuran-2-yl]acetamide?
The IUPAC name of N-acetyl-N-[8-(diacetylamino)-3,7-dimethyldibenzofuran-2-yl]acetamide (CID 58849639) is N-acetyl-N-[8-(diacetylamino)-3,7-dimethyldibenzofuran-2-yl]acetamide.
What is the SMILES notation for N-acetyl-N-[8-(diacetylamino)-3,7-dimethyldibenzofuran-2-yl]acetamide?
The canonical SMILES for N-acetyl-N-[8-(diacetylamino)-3,7-dimethyldibenzofuran-2-yl]acetamide is CC(=O)N(C(C)=O)c1cc2c(cc1C)oc1cc(C)c(N(C(C)=O)C(C)=O)cc12.
What is the InChIKey of N-acetyl-N-[8-(diacetylamino)-3,7-dimethyldibenzofuran-2-yl]acetamide?
The InChIKey is KMXGQTGPGKSIQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O5/c1-11-7-21-17(9-19(11)23(13(3)25)14(4)26)18-10-20(12(2)8-22(18)29-21)24(15(5)27)16(6)28/h7-10H,1-6H3.
What are the key properties of N-acetyl-N-[8-(diacetylamino)-3,7-dimethyldibenzofuran-2-yl]acetamide?
N-acetyl-N-[8-(diacetylamino)-3,7-dimethyldibenzofuran-2-yl]acetamide has a molecular weight of 394.43 g/mol, XLogP of 4.00, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-acetyl-N-[8-(diacetylamino)-3,7-dimethyldibenzofuran-2-yl]acetamide is sourced from PubChem (CID 58849639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).