2-[[2-(3,5-dimethyl-7-oxofuro[3,2-g]chromen-6-yl)acetyl]amino]benzamide

C22H18N2O5 — CID 4869567

IUPAC2-[[2-(3,5-dimethyl-7-oxofuro[3,2-g]chromen-6-yl)acetyl]amino]benzamide
SMILESCc1coc2cc3oc(=O)c(CC(=O)Nc4ccccc4C(N)=O)c(C)c3cc12
InChIInChI=1S/C22H18N2O5/c1-11-10-28-18-9-19-15(7-14(11)18)12(2)16(22(27)29-19)8-20(25)24-17-6-4-3-5-13(17)21(23)26/h3-7,9-10H,8H2,1-2H3,(H2,23,26)(H,24,25)
InChIKeyOFKSYGBXGPINCW-UHFFFAOYSA-N
MW390.40 g/mol
LogP3.44
Rot. Bonds4

About 2-[[2-(3,5-dimethyl-7-oxofuro[3,2-g]chromen-6-yl)acetyl]amino]benzamide

2-[[2-(3,5-dimethyl-7-oxofuro[3,2-g]chromen-6-yl)acetyl]amino]benzamide (PubChem CID 4869567) has the molecular formula C22H18N2O5 and a molecular weight of 390.40 g/mol. Its IUPAC name is 2-[[2-(3,5-dimethyl-7-oxofuro[3,2-g]chromen-6-yl)acetyl]amino]benzamide.

Molecular Properties

Compound Name2-[[2-(3,5-dimethyl-7-oxofuro[3,2-g]chromen-6-yl)acetyl]amino]benzamide
PubChem CID4869567
Molecular FormulaC22H18N2O5
Molecular Weight390.40 g/mol
Exact Mass390.12
IUPAC Name2-[[2-(3,5-dimethyl-7-oxofuro[3,2-g]chromen-6-yl)acetyl]amino]benzamide
SMILESCc1coc2cc3oc(=O)c(CC(=O)Nc4ccccc4C(N)=O)c(C)c3cc12
InChIInChI=1S/C22H18N2O5/c1-11-10-28-18-9-19-15(7-14(11)18)12(2)16(22(27)29-19)8-20(25)24-17-6-4-3-5-13(17)21(23)26/h3-7,9-10H,8H2,1-2H3,(H2,23,26)(H,24,25)
InChIKeyOFKSYGBXGPINCW-UHFFFAOYSA-N
XLogP3.44
TPSA115.54 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.40
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}

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Related Compounds

2-(3,5-dimethyl-7-oxofuro[3,2-g]chromen-6-yl)-N-(pyridin-3-ylmethyl)acetamide
CID 4837362
2-[[2-(3,5-dimethyl-7-oxofuro[3,2-g]chromen-6-yl)acetyl]amino]-3-methylbutanoic acid
CID 3751099
N-[(2S)-2,3-dihydroxypropyl]-2-(3,5-dimethyl-7-oxofuro[3,2-g]chromen-6-yl)acetamide
CID 40854906
2-(3,5-dimethyl-7-oxofuro[3,2-g]chromen-6-yl)-N-[2-(1-methylindol-3-yl)ethyl]acetamide
CID 127253767
2-[[2-(7,8-dimethoxy-4-methyl-2-oxochromen-3-yl)acetyl]amino]benzamide
CID 4868879
3,5-dimethyl-6-(2-oxo-2-pyrrolidin-1-ylethyl)furo[3,2-g]chromen-7-one
CID 4914333
(2R)-2-[[2-(3,5-dimethyl-7-oxofuro[3,2-g]chromen-6-yl)acetyl]amino]-4-[(S)-methylsulfinyl]butanoic acid
CID 11862591
N-(2-methylphenyl)-2-(3,4,9-trimethyl-7-oxofuro[2,3-f]chromen-8-yl)acetamide
CID 4868793
2-[[2-(3,5-dimethyl-7-oxofuro[3,2-g]chromen-6-yl)acetyl]amino]-4-ethylsulfanylbutanoic acid
CID 3721770
4-methyl-2-[[2-(5-methyl-7-oxo-3-phenylfuro[3,2-g]chromen-6-yl)acetyl]amino]pentanoic acid
CID 3362840
2-(3,5-dimethyl-7-oxofuro[3,2-g]chromen-6-yl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide
CID 4839811
3-(3,5-dimethyl-7-oxofuro[3,2-g]chromen-6-yl)-N-(3-hydroxypropyl)propanamide
CID 4967067

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(3,5-dimethyl-7-oxofuro[3,2-g]chromen-6-yl)acetyl]amino]benzamide?
The IUPAC name of 2-[[2-(3,5-dimethyl-7-oxofuro[3,2-g]chromen-6-yl)acetyl]amino]benzamide (CID 4869567) is 2-[[2-(3,5-dimethyl-7-oxofuro[3,2-g]chromen-6-yl)acetyl]amino]benzamide.
What is the SMILES notation for 2-[[2-(3,5-dimethyl-7-oxofuro[3,2-g]chromen-6-yl)acetyl]amino]benzamide?
The canonical SMILES for 2-[[2-(3,5-dimethyl-7-oxofuro[3,2-g]chromen-6-yl)acetyl]amino]benzamide is Cc1coc2cc3oc(=O)c(CC(=O)Nc4ccccc4C(N)=O)c(C)c3cc12.
What is the InChIKey of 2-[[2-(3,5-dimethyl-7-oxofuro[3,2-g]chromen-6-yl)acetyl]amino]benzamide?
The InChIKey is OFKSYGBXGPINCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N2O5/c1-11-10-28-18-9-19-15(7-14(11)18)12(2)16(22(27)29-19)8-20(25)24-17-6-4-3-5-13(17)21(23)26/h3-7,9-10H,8H2,1-2H3,(H2,23,26)(H,24,25).
What are the key properties of 2-[[2-(3,5-dimethyl-7-oxofuro[3,2-g]chromen-6-yl)acetyl]amino]benzamide?
2-[[2-(3,5-dimethyl-7-oxofuro[3,2-g]chromen-6-yl)acetyl]amino]benzamide has a molecular weight of 390.40 g/mol, XLogP of 3.44, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(3,5-dimethyl-7-oxofuro[3,2-g]chromen-6-yl)acetyl]amino]benzamide is sourced from PubChem (CID 4869567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).