(NE)-N-[(5,6-dimethoxy-1-benzofuran-2-yl)-(5-methoxy-2,2-dimethylchromen-6-yl)methylidene]hydroxylamine

C23H23NO6 — CID 134146904

IUPAC(NE)-N-[(5,6-dimethoxy-1-benzofuran-2-yl)-(5-methoxy-2,2-dimethylchromen-6-yl)methylidene]hydroxylamine
SMILESCOc1cc2cc(/C(=N/O)c3ccc4c(c3OC)C=CC(C)(C)O4)oc2cc1OC
InChIInChI=1S/C23H23NO6/c1-23(2)9-8-14-16(30-23)7-6-15(22(14)28-5)21(24-25)20-11-13-10-18(26-3)19(27-4)12-17(13)29-20/h6-12,25H,1-5H3/b24-21+
InChIKeyDPVMUZXIRORIHI-DARPEHSRSA-N
MW409.44 g/mol
LogP4.87
Rot. Bonds5

About (NE)-N-[(5,6-dimethoxy-1-benzofuran-2-yl)-(5-methoxy-2,2-dimethylchromen-6-yl)methylidene]hydroxylamine

(NE)-N-[(5,6-dimethoxy-1-benzofuran-2-yl)-(5-methoxy-2,2-dimethylchromen-6-yl)methylidene]hydroxylamine (PubChem CID 134146904) has the molecular formula C23H23NO6 and a molecular weight of 409.44 g/mol. Its IUPAC name is (NE)-N-[(5,6-dimethoxy-1-benzofuran-2-yl)-(5-methoxy-2,2-dimethylchromen-6-yl)methylidene]hydroxylamine.

Molecular Properties

Compound Name(NE)-N-[(5,6-dimethoxy-1-benzofuran-2-yl)-(5-methoxy-2,2-dimethylchromen-6-yl)methylidene]hydroxylamine
PubChem CID134146904
Molecular FormulaC23H23NO6
Molecular Weight409.44 g/mol
Exact Mass409.15
IUPAC Name(NE)-N-[(5,6-dimethoxy-1-benzofuran-2-yl)-(5-methoxy-2,2-dimethylchromen-6-yl)methylidene]hydroxylamine
SMILESCOc1cc2cc(/C(=N/O)c3ccc4c(c3OC)C=CC(C)(C)O4)oc2cc1OC
InChIInChI=1S/C23H23NO6/c1-23(2)9-8-14-16(30-23)7-6-15(22(14)28-5)21(24-25)20-11-13-10-18(26-3)19(27-4)12-17(13)29-20/h6-12,25H,1-5H3/b24-21+
InChIKeyDPVMUZXIRORIHI-DARPEHSRSA-N
XLogP4.87
TPSA82.65 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.44
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze (NE)-N-[(5,6-dimethoxy-1-benzofuran-2-yl)-(5-methoxy-2,2-dimethylchromen-6-yl)methylidene]hydroxylamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(NZ)-N-[(5,6-dimethoxy-1-benzofuran-2-yl)-(5-methoxy-2,2-dimethylchromen-6-yl)methylidene]hydroxylamine
CID 134151517
1-(5-methoxy-2,2-dimethylchromen-6-yl)ethanone
CID 10879004
N'-hydroxy-5,6-dimethoxy-1-benzofuran-2-carboximidamide
CID 3069472
1-(5-methoxy-2,2-dimethylchromen-6-yl)-2-(3-methoxy-4-methylphenyl)butan-1-one
CID 118199588
8,9-dimethoxy-2,2-dimethylpyrano[2,3-c]phenanthridine
CID 10758120
4-(3,4-dimethoxyphenoxy)-1-(5-methoxy-2,2-dimethylchromen-6-yl)but-2-yn-1-one
CID 11292723
1-(5-methoxy-2,2-dimethylchromen-6-yl)-2-(3-methoxy-4-methylphenyl)-2-methylpropan-1-one;2-(3-methoxy-4-methylphenyl)-1-(2,2,5-trimethylchromen-6-yl)ethanone
CID 157442776
1-(5-hydroxy-2,2-dimethylchromen-6-yl)-2-(3-methoxy-4-methylphenyl)ethanone
CID 118199612
(2S)-1-(5-methoxy-2,2-dimethylchromen-6-yl)-2-(3-methoxy-4-methylphenyl)propan-1-one;(2S)-2-(3-methoxy-4-methylphenyl)propanal;sulfane
CID 161356678
2-(3,4-dimethoxyphenyl)-1-(5-methoxy-2,2-dimethylchromen-6-yl)prop-2-en-1-ol
CID 122196167
1-(5,7-dimethoxy-2,2-dimethylchromen-6-yl)ethanone
CID 66573258
(5-methoxy-2,2-dimethylchromen-6-yl)-(6-methoxy-7-methyl-2H-chromen-4-yl)methanone
CID 118199572

Frequently Asked Questions

What is the IUPAC name of (NE)-N-[(5,6-dimethoxy-1-benzofuran-2-yl)-(5-methoxy-2,2-dimethylchromen-6-yl)methylidene]hydroxylamine?
The IUPAC name of (NE)-N-[(5,6-dimethoxy-1-benzofuran-2-yl)-(5-methoxy-2,2-dimethylchromen-6-yl)methylidene]hydroxylamine (CID 134146904) is (NE)-N-[(5,6-dimethoxy-1-benzofuran-2-yl)-(5-methoxy-2,2-dimethylchromen-6-yl)methylidene]hydroxylamine.
What is the SMILES notation for (NE)-N-[(5,6-dimethoxy-1-benzofuran-2-yl)-(5-methoxy-2,2-dimethylchromen-6-yl)methylidene]hydroxylamine?
The canonical SMILES for (NE)-N-[(5,6-dimethoxy-1-benzofuran-2-yl)-(5-methoxy-2,2-dimethylchromen-6-yl)methylidene]hydroxylamine is COc1cc2cc(/C(=N/O)c3ccc4c(c3OC)C=CC(C)(C)O4)oc2cc1OC.
What is the InChIKey of (NE)-N-[(5,6-dimethoxy-1-benzofuran-2-yl)-(5-methoxy-2,2-dimethylchromen-6-yl)methylidene]hydroxylamine?
The InChIKey is DPVMUZXIRORIHI-DARPEHSRSA-N. The full InChI is InChI=1S/C23H23NO6/c1-23(2)9-8-14-16(30-23)7-6-15(22(14)28-5)21(24-25)20-11-13-10-18(26-3)19(27-4)12-17(13)29-20/h6-12,25H,1-5H3/b24-21+.
What are the key properties of (NE)-N-[(5,6-dimethoxy-1-benzofuran-2-yl)-(5-methoxy-2,2-dimethylchromen-6-yl)methylidene]hydroxylamine?
(NE)-N-[(5,6-dimethoxy-1-benzofuran-2-yl)-(5-methoxy-2,2-dimethylchromen-6-yl)methylidene]hydroxylamine has a molecular weight of 409.44 g/mol, XLogP of 4.87, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-[(5,6-dimethoxy-1-benzofuran-2-yl)-(5-methoxy-2,2-dimethylchromen-6-yl)methylidene]hydroxylamine is sourced from PubChem (CID 134146904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).