N-[(3,4-dimethoxyphenyl)methyl]-2-(3,5,9-trimethyl-7-oxofuro[3,2-g]chromen-6-yl)acetamide

C25H25NO6 — CID 4966482

IUPACN-[(3,4-dimethoxyphenyl)methyl]-2-(3,5,9-trimethyl-7-oxofuro[3,2-g]chromen-6-yl)acetamide
SMILESCOc1ccc(CNC(=O)Cc2c(C)c3cc4c(C)coc4c(C)c3oc2=O)cc1OC
InChIInChI=1S/C25H25NO6/c1-13-12-31-23-15(3)24-18(9-17(13)23)14(2)19(25(28)32-24)10-22(27)26-11-16-6-7-20(29-4)21(8-16)30-5/h6-9,12H,10-11H2,1-5H3,(H,26,27)
InChIKeyNUIVULBAKHFVEG-UHFFFAOYSA-N
MW435.48 g/mol
LogP4.34
Rot. Bonds6

About N-[(3,4-dimethoxyphenyl)methyl]-2-(3,5,9-trimethyl-7-oxofuro[3,2-g]chromen-6-yl)acetamide

N-[(3,4-dimethoxyphenyl)methyl]-2-(3,5,9-trimethyl-7-oxofuro[3,2-g]chromen-6-yl)acetamide (PubChem CID 4966482) has the molecular formula C25H25NO6 and a molecular weight of 435.48 g/mol. Its IUPAC name is N-[(3,4-dimethoxyphenyl)methyl]-2-(3,5,9-trimethyl-7-oxofuro[3,2-g]chromen-6-yl)acetamide.

Molecular Properties

Compound NameN-[(3,4-dimethoxyphenyl)methyl]-2-(3,5,9-trimethyl-7-oxofuro[3,2-g]chromen-6-yl)acetamide
PubChem CID4966482
Molecular FormulaC25H25NO6
Molecular Weight435.48 g/mol
Exact Mass435.17
IUPAC NameN-[(3,4-dimethoxyphenyl)methyl]-2-(3,5,9-trimethyl-7-oxofuro[3,2-g]chromen-6-yl)acetamide
SMILESCOc1ccc(CNC(=O)Cc2c(C)c3cc4c(C)coc4c(C)c3oc2=O)cc1OC
InChIInChI=1S/C25H25NO6/c1-13-12-31-23-15(3)24-18(9-17(13)23)14(2)19(25(28)32-24)10-22(27)26-11-16-6-7-20(29-4)21(8-16)30-5/h6-9,12H,10-11H2,1-5H3,(H,26,27)
InChIKeyNUIVULBAKHFVEG-UHFFFAOYSA-N
XLogP4.34
TPSA90.91 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.48
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[(10S)-3,4,5-trimethoxy-16-methyl-14-oxatetracyclo[9.7.0.02,7.013,17]octadeca-1(11),2,4,6,12,15,17-heptaen-10-yl]acetamide
CID 154573905
2-[[2-(3-Tert-butyl-5,9-dimethyl-7-oxofuro[3,2-g]chromen-6-yl)acetyl]amino]-3-phenylpropanoic acid
CID 3456936
[2-[[(10S)-15-(acetyloxymethyl)-3,4,5-trimethoxy-14-oxatetracyclo[9.7.0.02,7.013,17]octadeca-1(11),2,4,6,12,15,17-heptaen-10-yl]amino]-2-oxoethyl] (2E,4E)-hexa-2,4-dienoate
CID 162675966
2-(3-tert-butyl-4,9-dimethyl-7-oxofuro[2,3-f]chromen-8-yl)-N-(2-methoxyethyl)acetamide
CID 4972020
(E)-N-[2-(2-methyl-1-benzofuran-3-yl)ethyl]-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
CID 90250207
N-[2-(4-methoxyphenyl)ethyl]-3-(2,3,5-trimethyl-7-oxo-7H-furo[3,2-g]chromen-6-yl)propanamide
CID 1750197
N-(2-methoxybenzyl)-3-(2,3,5-trimethyl-7-oxo-7H-furo[3,2-g]chromen-6-yl)propanamide
CID 1750931
N-(4-chlorobenzyl)-3-(3,5-dimethyl-7-oxo-7H-furo[3,2-g]chromen-6-yl)propanamide
CID 1751108
N-(4-methoxybenzyl)-3-(2,3,5-trimethyl-7-oxo-7H-furo[3,2-g]chromen-6-yl)propanamide
CID 1751169
3-(3,5-dimethyl-7-oxo-7H-furo[3,2-g]chromen-6-yl)-N-(4-methylbenzyl)propanamide
CID 1752831
2-(2-(5-methyl-7-oxo-3-phenyl-7H-furo[3,2-g]chromen-6-yl)acetamido)acetic acid
CID 1754762
4-{[(4-methyl-2-oxo-6,7,8,9-tetrahydro-2H-[1]benzofuro[3,2-g]chromen-3-yl)acetyl]amino}butanoic acid
CID 1757562

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dimethoxyphenyl)methyl]-2-(3,5,9-trimethyl-7-oxofuro[3,2-g]chromen-6-yl)acetamide?
The IUPAC name of N-[(3,4-dimethoxyphenyl)methyl]-2-(3,5,9-trimethyl-7-oxofuro[3,2-g]chromen-6-yl)acetamide (CID 4966482) is N-[(3,4-dimethoxyphenyl)methyl]-2-(3,5,9-trimethyl-7-oxofuro[3,2-g]chromen-6-yl)acetamide.
What is the SMILES notation for N-[(3,4-dimethoxyphenyl)methyl]-2-(3,5,9-trimethyl-7-oxofuro[3,2-g]chromen-6-yl)acetamide?
The canonical SMILES for N-[(3,4-dimethoxyphenyl)methyl]-2-(3,5,9-trimethyl-7-oxofuro[3,2-g]chromen-6-yl)acetamide is COc1ccc(CNC(=O)Cc2c(C)c3cc4c(C)coc4c(C)c3oc2=O)cc1OC.
What is the InChIKey of N-[(3,4-dimethoxyphenyl)methyl]-2-(3,5,9-trimethyl-7-oxofuro[3,2-g]chromen-6-yl)acetamide?
The InChIKey is NUIVULBAKHFVEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25NO6/c1-13-12-31-23-15(3)24-18(9-17(13)23)14(2)19(25(28)32-24)10-22(27)26-11-16-6-7-20(29-4)21(8-16)30-5/h6-9,12H,10-11H2,1-5H3,(H,26,27).
What are the key properties of N-[(3,4-dimethoxyphenyl)methyl]-2-(3,5,9-trimethyl-7-oxofuro[3,2-g]chromen-6-yl)acetamide?
N-[(3,4-dimethoxyphenyl)methyl]-2-(3,5,9-trimethyl-7-oxofuro[3,2-g]chromen-6-yl)acetamide has a molecular weight of 435.48 g/mol, XLogP of 4.34, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-dimethoxyphenyl)methyl]-2-(3,5,9-trimethyl-7-oxofuro[3,2-g]chromen-6-yl)acetamide is sourced from PubChem (CID 4966482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).