(5,7-dimethoxy-1-benzofuran-2-yl)methyl N-(2-hydroxy-4-methyl-2H-chromen-7-yl)carbamate

C22H21NO7 — CID 134350817

IUPAC(5,7-dimethoxy-1-benzofuran-2-yl)methyl N-(2-hydroxy-4-methyl-2H-chromen-7-yl)carbamate
SMILESCOc1cc(OC)c2oc(COC(=O)Nc3ccc4c(c3)OC(O)C=C4C)cc2c1
InChIInChI=1S/C22H21NO7/c1-12-6-20(24)30-18-9-14(4-5-17(12)18)23-22(25)28-11-16-8-13-7-15(26-2)10-19(27-3)21(13)29-16/h4-10,20,24H,11H2,1-3H3,(H,23,25)
InChIKeyVLEPCLXXBPQRRL-UHFFFAOYSA-N
MW411.41 g/mol
LogP4.31
Rot. Bonds5

About (5,7-dimethoxy-1-benzofuran-2-yl)methyl N-(2-hydroxy-4-methyl-2H-chromen-7-yl)carbamate

(5,7-dimethoxy-1-benzofuran-2-yl)methyl N-(2-hydroxy-4-methyl-2H-chromen-7-yl)carbamate (PubChem CID 134350817) has the molecular formula C22H21NO7 and a molecular weight of 411.41 g/mol. Its IUPAC name is (5,7-dimethoxy-1-benzofuran-2-yl)methyl N-(2-hydroxy-4-methyl-2H-chromen-7-yl)carbamate.

Molecular Properties

Compound Name(5,7-dimethoxy-1-benzofuran-2-yl)methyl N-(2-hydroxy-4-methyl-2H-chromen-7-yl)carbamate
PubChem CID134350817
Molecular FormulaC22H21NO7
Molecular Weight411.41 g/mol
Exact Mass411.13
IUPAC Name(5,7-dimethoxy-1-benzofuran-2-yl)methyl N-(2-hydroxy-4-methyl-2H-chromen-7-yl)carbamate
SMILESCOc1cc(OC)c2oc(COC(=O)Nc3ccc4c(c3)OC(O)C=C4C)cc2c1
InChIInChI=1S/C22H21NO7/c1-12-6-20(24)30-18-9-14(4-5-17(12)18)23-22(25)28-11-16-8-13-7-15(26-2)10-19(27-3)21(13)29-16/h4-10,20,24H,11H2,1-3H3,(H,23,25)
InChIKeyVLEPCLXXBPQRRL-UHFFFAOYSA-N
XLogP4.31
TPSA99.39 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.41
LogP ≤ 54.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

(5,7-dimethoxy-1-benzofuran-2-yl)methyl N-(2-oxo-1H-pyrimidin-6-yl)carbamate
CID 153333578
2-butyl-5,7-dimethoxy-1-benzofuran
CID 135058890
ethyl N-[4-methoxy-3-(methylamino)phenyl]carbamate
CID 163895586
benzyl N-(4-amino-3-methoxyphenyl)carbamate
CID 154476991
ethyl N-(2,4-dimethoxyphenyl)carbamate
CID 2741048
N-[4-[5-(hydroxymethyl)furan-2-yl]-3-methoxyphenyl]-3,5-dimethoxybenzamide
CID 28675012
6-methoxy-N-[3-methoxy-4-(4-methoxyphenyl)phenyl]naphthalene-2-carboxamide
CID 57401328
ethyl N-(4-fluoro-3-methoxyphenyl)carbamate
CID 114840894
ethyl N-(6-hydroxynaphthalen-2-yl)carbamate
CID 68802648
chloromethyl N-(4-bromo-3-methoxyphenyl)carbamate
CID 164652567
(E)-3-(5-chloro-7-methoxy-1-benzofuran-2-yl)-N-(3,4-dimethylphenyl)prop-2-enamide
CID 51370810
(4-methyl-2-phenylpyrimidin-5-yl)methyl N-(4-methyl-2-methylidenechromen-7-yl)carbamate
CID 134350147

Frequently Asked Questions

What is the IUPAC name of (5,7-dimethoxy-1-benzofuran-2-yl)methyl N-(2-hydroxy-4-methyl-2H-chromen-7-yl)carbamate?
The IUPAC name of (5,7-dimethoxy-1-benzofuran-2-yl)methyl N-(2-hydroxy-4-methyl-2H-chromen-7-yl)carbamate (CID 134350817) is (5,7-dimethoxy-1-benzofuran-2-yl)methyl N-(2-hydroxy-4-methyl-2H-chromen-7-yl)carbamate.
What is the SMILES notation for (5,7-dimethoxy-1-benzofuran-2-yl)methyl N-(2-hydroxy-4-methyl-2H-chromen-7-yl)carbamate?
The canonical SMILES for (5,7-dimethoxy-1-benzofuran-2-yl)methyl N-(2-hydroxy-4-methyl-2H-chromen-7-yl)carbamate is COc1cc(OC)c2oc(COC(=O)Nc3ccc4c(c3)OC(O)C=C4C)cc2c1.
What is the InChIKey of (5,7-dimethoxy-1-benzofuran-2-yl)methyl N-(2-hydroxy-4-methyl-2H-chromen-7-yl)carbamate?
The InChIKey is VLEPCLXXBPQRRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21NO7/c1-12-6-20(24)30-18-9-14(4-5-17(12)18)23-22(25)28-11-16-8-13-7-15(26-2)10-19(27-3)21(13)29-16/h4-10,20,24H,11H2,1-3H3,(H,23,25).
What are the key properties of (5,7-dimethoxy-1-benzofuran-2-yl)methyl N-(2-hydroxy-4-methyl-2H-chromen-7-yl)carbamate?
(5,7-dimethoxy-1-benzofuran-2-yl)methyl N-(2-hydroxy-4-methyl-2H-chromen-7-yl)carbamate has a molecular weight of 411.41 g/mol, XLogP of 4.31, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (5,7-dimethoxy-1-benzofuran-2-yl)methyl N-(2-hydroxy-4-methyl-2H-chromen-7-yl)carbamate is sourced from PubChem (CID 134350817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).