2-[4-(2-benzoyl-6,7-dihydro-5H-furo[3,2-g]chromen-3-yl)phenoxy]-N,N-dimethylacetamide

C28H25NO5 — CID 141231672

IUPAC2-[4-(2-benzoyl-6,7-dihydro-5H-furo[3,2-g]chromen-3-yl)phenoxy]-N,N-dimethylacetamide
SMILESCN(C)C(=O)COc1ccc(-c2c(C(=O)c3ccccc3)oc3cc4c(cc23)CCCO4)cc1
InChIInChI=1S/C28H25NO5/c1-29(2)25(30)17-33-21-12-10-18(11-13-21)26-22-15-20-9-6-14-32-23(20)16-24(22)34-28(26)27(31)19-7-4-3-5-8-19/h3-5,7-8,10-13,15-16H,6,9,14,17H2,1-2H3
InChIKeyMCBRKDUDBOWVCY-UHFFFAOYSA-N
MW455.51 g/mol
LogP5.12
Rot. Bonds6

About 2-[4-(2-benzoyl-6,7-dihydro-5H-furo[3,2-g]chromen-3-yl)phenoxy]-N,N-dimethylacetamide

2-[4-(2-benzoyl-6,7-dihydro-5H-furo[3,2-g]chromen-3-yl)phenoxy]-N,N-dimethylacetamide (PubChem CID 141231672) has the molecular formula C28H25NO5 and a molecular weight of 455.51 g/mol. Its IUPAC name is 2-[4-(2-benzoyl-6,7-dihydro-5H-furo[3,2-g]chromen-3-yl)phenoxy]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[4-(2-benzoyl-6,7-dihydro-5H-furo[3,2-g]chromen-3-yl)phenoxy]-N,N-dimethylacetamide
PubChem CID141231672
Molecular FormulaC28H25NO5
Molecular Weight455.51 g/mol
Exact Mass455.17
IUPAC Name2-[4-(2-benzoyl-6,7-dihydro-5H-furo[3,2-g]chromen-3-yl)phenoxy]-N,N-dimethylacetamide
SMILESCN(C)C(=O)COc1ccc(-c2c(C(=O)c3ccccc3)oc3cc4c(cc23)CCCO4)cc1
InChIInChI=1S/C28H25NO5/c1-29(2)25(30)17-33-21-12-10-18(11-13-21)26-22-15-20-9-6-14-32-23(20)16-24(22)34-28(26)27(31)19-7-4-3-5-8-19/h3-5,7-8,10-13,15-16H,6,9,14,17H2,1-2H3
InChIKeyMCBRKDUDBOWVCY-UHFFFAOYSA-N
XLogP5.12
TPSA68.98 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500455.51
LogP ≤ 55.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-[4-(2-benzoyl-6,7-dihydro-5H-furo[3,2-g]chromen-3-yl)phenoxy]-N,N-dimethylacetamide with MolForge

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Related Compounds

N,N-dimethyl-2-[4-(3-phenyl-6,7-dihydro-5H-furo[3,2-g]chromene-2-carbonyl)phenoxy]acetamide
CID 141231712
2-[4-(2-benzoyl-6,7-dihydro-5H-furo[3,2-g]chromen-3-yl)phenoxy]-N-phenylacetamide
CID 141231687
[4-[2-(diethylamino)ethoxy]phenyl]-[3-(4-methoxyphenyl)-6,7-dihydro-5H-furo[3,2-g]chromen-2-yl]methanone
CID 141231720
2-[4-(2-benzoyl-5H-furo[3,2-g]chromen-3-yl)phenoxy]-2-(dimethylamino)acetaldehyde
CID 89497893
[4-[2-(diethylamino)ethoxy]phenyl]-(3-phenyl-5H-furo[3,2-g]chromen-2-yl)methanone
CID 89497868
3-(3,4-dihydro-2H-chromen-6-yloxy)-N,N-dimethylpropanamide
CID 141195389
4-(3,4-dihydro-2H-chromen-7-yloxy)-N,N-dimethylbutanamide
CID 141195387
N,N-dimethyl-2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)acetamide
CID 46652492
[3-[4-(dimethylamino)phenyl]-1-benzofuran-2-yl]-phenylmethanone
CID 57336949
[1-(4-methoxyphenyl)-8-phenylmethoxybenzo[e][1]benzofuran-2-yl]-phenylmethanone
CID 71485851
3-[2-(dimethylamino)-2-oxoethoxy]benzoic acid
CID 16769869
(4-chlorophenyl)-[3-[4-(2-morpholin-4-ylethoxy)phenyl]-5H-furo[3,2-g]chromen-2-yl]methanone
CID 89497900

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-benzoyl-6,7-dihydro-5H-furo[3,2-g]chromen-3-yl)phenoxy]-N,N-dimethylacetamide?
The IUPAC name of 2-[4-(2-benzoyl-6,7-dihydro-5H-furo[3,2-g]chromen-3-yl)phenoxy]-N,N-dimethylacetamide (CID 141231672) is 2-[4-(2-benzoyl-6,7-dihydro-5H-furo[3,2-g]chromen-3-yl)phenoxy]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[4-(2-benzoyl-6,7-dihydro-5H-furo[3,2-g]chromen-3-yl)phenoxy]-N,N-dimethylacetamide?
The canonical SMILES for 2-[4-(2-benzoyl-6,7-dihydro-5H-furo[3,2-g]chromen-3-yl)phenoxy]-N,N-dimethylacetamide is CN(C)C(=O)COc1ccc(-c2c(C(=O)c3ccccc3)oc3cc4c(cc23)CCCO4)cc1.
What is the InChIKey of 2-[4-(2-benzoyl-6,7-dihydro-5H-furo[3,2-g]chromen-3-yl)phenoxy]-N,N-dimethylacetamide?
The InChIKey is MCBRKDUDBOWVCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H25NO5/c1-29(2)25(30)17-33-21-12-10-18(11-13-21)26-22-15-20-9-6-14-32-23(20)16-24(22)34-28(26)27(31)19-7-4-3-5-8-19/h3-5,7-8,10-13,15-16H,6,9,14,17H2,1-2H3.
What are the key properties of 2-[4-(2-benzoyl-6,7-dihydro-5H-furo[3,2-g]chromen-3-yl)phenoxy]-N,N-dimethylacetamide?
2-[4-(2-benzoyl-6,7-dihydro-5H-furo[3,2-g]chromen-3-yl)phenoxy]-N,N-dimethylacetamide has a molecular weight of 455.51 g/mol, XLogP of 5.12, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-benzoyl-6,7-dihydro-5H-furo[3,2-g]chromen-3-yl)phenoxy]-N,N-dimethylacetamide is sourced from PubChem (CID 141231672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).