N-[2-(3,4-dimethoxyphenyl)ethyl]-7-ethyl-1,7-dimethyl-9-oxo-8H-furo[3,2-f]chromene-2-carboxamide

C26H29NO6 — CID 23601783

IUPACN-[2-(3,4-dimethoxyphenyl)ethyl]-7-ethyl-1,7-dimethyl-9-oxo-8H-furo[3,2-f]chromene-2-carboxamide
SMILESCCC1(C)CC(=O)c2c(ccc3oc(C(=O)NCCc4ccc(OC)c(OC)c4)c(C)c23)O1
InChIInChI=1S/C26H29NO6/c1-6-26(3)14-17(28)23-20(33-26)10-9-19-22(23)15(2)24(32-19)25(29)27-12-11-16-7-8-18(30-4)21(13-16)31-5/h7-10,13H,6,11-12,14H2,1-5H3,(H,27,29)
InChIKeyIJZBNXLOGGSCQY-UHFFFAOYSA-N
MW451.52 g/mol
LogP4.86
Rot. Bonds7

About N-[2-(3,4-dimethoxyphenyl)ethyl]-7-ethyl-1,7-dimethyl-9-oxo-8H-furo[3,2-f]chromene-2-carboxamide

N-[2-(3,4-dimethoxyphenyl)ethyl]-7-ethyl-1,7-dimethyl-9-oxo-8H-furo[3,2-f]chromene-2-carboxamide (PubChem CID 23601783) has the molecular formula C26H29NO6 and a molecular weight of 451.52 g/mol. Its IUPAC name is N-[2-(3,4-dimethoxyphenyl)ethyl]-7-ethyl-1,7-dimethyl-9-oxo-8H-furo[3,2-f]chromene-2-carboxamide.

Molecular Properties

Compound NameN-[2-(3,4-dimethoxyphenyl)ethyl]-7-ethyl-1,7-dimethyl-9-oxo-8H-furo[3,2-f]chromene-2-carboxamide
PubChem CID23601783
Molecular FormulaC26H29NO6
Molecular Weight451.52 g/mol
Exact Mass451.20
IUPAC NameN-[2-(3,4-dimethoxyphenyl)ethyl]-7-ethyl-1,7-dimethyl-9-oxo-8H-furo[3,2-f]chromene-2-carboxamide
SMILESCCC1(C)CC(=O)c2c(ccc3oc(C(=O)NCCc4ccc(OC)c(OC)c4)c(C)c23)O1
InChIInChI=1S/C26H29NO6/c1-6-26(3)14-17(28)23-20(33-26)10-9-19-22(23)15(2)24(32-19)25(29)27-12-11-16-7-8-18(30-4)21(13-16)31-5/h7-10,13H,6,11-12,14H2,1-5H3,(H,27,29)
InChIKeyIJZBNXLOGGSCQY-UHFFFAOYSA-N
XLogP4.86
TPSA87.00 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.52
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(7S)-N-[2-(3,4-diethoxyphenyl)ethyl]-7-ethyl-1,7-dimethyl-9-oxo-8H-furo[3,2-f]chromene-2-carboxamide
CID 92669229
N-[(5-bromo-2-methoxyphenyl)methyl]-1,7,7-trimethyl-9-oxo-8H-furo[3,2-f]chromene-2-carboxamide
CID 20886080
N-[2-(3,4-dimethoxyphenyl)ethyl]-3,6,7-trimethyl-1-benzofuran-2-carboxamide
CID 35346022
ethyl 1,7,7-trimethyl-9-oxo-8H-furo[3,2-f]chromene-2-carboxylate
CID 6623148
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-methyl-1-benzofuran-3-carboxamide
CID 110703150
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-methyl-1,3-oxazole-4-carboxamide
CID 30464265
N-[2-(3,4-dimethoxyphenyl)ethyl]-1H-pyrrole-2-carboxamide
CID 9404380
N-[2-(3,4-dimethoxyphenyl)ethyl]-5-methylfuro[3,2-b]pyridine-2-carboxamide
CID 16906942
N-[2-(3,4-dimethoxyphenyl)ethyl]-5-(pyrrolidin-1-ylmethyl)furan-2-carboxamide
CID 19414041
ethyl 4-[2-(3,4-dimethoxyphenyl)ethylcarbamoyl]furan-3-carboxylate
CID 13206091
(7R)-7-(4-chlorophenyl)-1,7-dimethyl-9-oxo-N-(thiophen-2-ylmethyl)-8H-furo[3,2-f]chromene-2-carboxamide
CID 92669143
N-[2-(3,4-dimethoxyphenyl)ethyl]-3-methoxy-1,2-oxazole-5-carboxamide
CID 71802444

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-dimethoxyphenyl)ethyl]-7-ethyl-1,7-dimethyl-9-oxo-8H-furo[3,2-f]chromene-2-carboxamide?
The IUPAC name of N-[2-(3,4-dimethoxyphenyl)ethyl]-7-ethyl-1,7-dimethyl-9-oxo-8H-furo[3,2-f]chromene-2-carboxamide (CID 23601783) is N-[2-(3,4-dimethoxyphenyl)ethyl]-7-ethyl-1,7-dimethyl-9-oxo-8H-furo[3,2-f]chromene-2-carboxamide.
What is the SMILES notation for N-[2-(3,4-dimethoxyphenyl)ethyl]-7-ethyl-1,7-dimethyl-9-oxo-8H-furo[3,2-f]chromene-2-carboxamide?
The canonical SMILES for N-[2-(3,4-dimethoxyphenyl)ethyl]-7-ethyl-1,7-dimethyl-9-oxo-8H-furo[3,2-f]chromene-2-carboxamide is CCC1(C)CC(=O)c2c(ccc3oc(C(=O)NCCc4ccc(OC)c(OC)c4)c(C)c23)O1.
What is the InChIKey of N-[2-(3,4-dimethoxyphenyl)ethyl]-7-ethyl-1,7-dimethyl-9-oxo-8H-furo[3,2-f]chromene-2-carboxamide?
The InChIKey is IJZBNXLOGGSCQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29NO6/c1-6-26(3)14-17(28)23-20(33-26)10-9-19-22(23)15(2)24(32-19)25(29)27-12-11-16-7-8-18(30-4)21(13-16)31-5/h7-10,13H,6,11-12,14H2,1-5H3,(H,27,29).
What are the key properties of N-[2-(3,4-dimethoxyphenyl)ethyl]-7-ethyl-1,7-dimethyl-9-oxo-8H-furo[3,2-f]chromene-2-carboxamide?
N-[2-(3,4-dimethoxyphenyl)ethyl]-7-ethyl-1,7-dimethyl-9-oxo-8H-furo[3,2-f]chromene-2-carboxamide has a molecular weight of 451.52 g/mol, XLogP of 4.86, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-dimethoxyphenyl)ethyl]-7-ethyl-1,7-dimethyl-9-oxo-8H-furo[3,2-f]chromene-2-carboxamide is sourced from PubChem (CID 23601783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).