(NE)-N-[2-(3,4-dimethoxyphenyl)-5,7-dimethylchromen-4-ylidene]hydroxylamine

C19H19NO4 — CID 6871166

IUPAC(NE)-N-[2-(3,4-dimethoxyphenyl)-5,7-dimethylchromen-4-ylidene]hydroxylamine
SMILESCOc1ccc(-c2c/c(=N\O)c3c(C)cc(C)cc3o2)cc1OC
InChIInChI=1S/C19H19NO4/c1-11-7-12(2)19-14(20-21)10-16(24-18(19)8-11)13-5-6-15(22-3)17(9-13)23-4/h5-10,21H,1-4H3/b20-14+
InChIKeyIKDOKXDXSHXTQB-XSFVSMFZSA-N
MW325.36 g/mol
LogP4.02
Rot. Bonds3

About (NE)-N-[2-(3,4-dimethoxyphenyl)-5,7-dimethylchromen-4-ylidene]hydroxylamine

(NE)-N-[2-(3,4-dimethoxyphenyl)-5,7-dimethylchromen-4-ylidene]hydroxylamine (PubChem CID 6871166) has the molecular formula C19H19NO4 and a molecular weight of 325.36 g/mol. Its IUPAC name is (NE)-N-[2-(3,4-dimethoxyphenyl)-5,7-dimethylchromen-4-ylidene]hydroxylamine.

Molecular Properties

Compound Name(NE)-N-[2-(3,4-dimethoxyphenyl)-5,7-dimethylchromen-4-ylidene]hydroxylamine
PubChem CID6871166
Molecular FormulaC19H19NO4
Molecular Weight325.36 g/mol
Exact Mass325.13
IUPAC Name(NE)-N-[2-(3,4-dimethoxyphenyl)-5,7-dimethylchromen-4-ylidene]hydroxylamine
SMILESCOc1ccc(-c2c/c(=N\O)c3c(C)cc(C)cc3o2)cc1OC
InChIInChI=1S/C19H19NO4/c1-11-7-12(2)19-14(20-21)10-16(24-18(19)8-11)13-5-6-15(22-3)17(9-13)23-4/h5-10,21H,1-4H3/b20-14+
InChIKeyIKDOKXDXSHXTQB-XSFVSMFZSA-N
XLogP4.02
TPSA64.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.36
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(3,4-dimethoxyphenyl)-5,7-dimethyl-N-phenylchromen-4-imine
CID 7729859
2-[2-[[2-(3,4-dimethoxyphenyl)-5,7-dimethylchromen-4-ylidene]amino]ethoxy]ethanol
CID 7729855
2-(3,4-dimethoxyphenyl)-N-(3-methoxyphenyl)-5,7-dimethylchromen-4-imine
CID 7729878
(E)-2-(3,4-dimethoxyphenyl)-5,7-dimethyl-N-(1,3-thiazol-2-yl)chromen-4-imine
CID 20998887
4-[[2-(3,4-dimethoxyphenyl)-5,7-dimethylchromen-4-ylidene]amino]benzenesulfonamide
CID 20998884
2-(3,4-dimethoxyphenyl)-5,7-dimethyl-N-(oxolan-2-ylmethyl)chromen-4-imine
CID 20998852
methyl 2-[(E)-[2-(3,4-dimethoxyphenyl)-5,7-dimethylchromen-4-ylidene]amino]-4-methyl-1,3-thiazole-5-carboxylate
CID 20998888
4-[[2-(3,4-dimethoxyphenyl)-5,7-dimethylchromen-4-ylidene]amino]-1,5-dimethyl-2-phenylpyrazol-3-one
CID 20998885
(NZ)-N-[6-chloro-2-(3,4-dimethoxyphenyl)chromen-4-ylidene]hydroxylamine
CID 7730706
4-[(4E)-4-hydroxyimino-6,8-dimethylchromen-2-yl]-2-methoxyphenol
CID 135821399
(E)-2-(3,4-dimethoxyphenyl)-5,7-dimethyl-N-(6-nitro-1,3-benzothiazol-2-yl)chromen-4-imine
CID 20998891
2-(3,4-dimethoxyphenyl)-3-hydroxy-5,7-dimethylchromen-4-one
CID 1413436

Frequently Asked Questions

What is the IUPAC name of (NE)-N-[2-(3,4-dimethoxyphenyl)-5,7-dimethylchromen-4-ylidene]hydroxylamine?
The IUPAC name of (NE)-N-[2-(3,4-dimethoxyphenyl)-5,7-dimethylchromen-4-ylidene]hydroxylamine (CID 6871166) is (NE)-N-[2-(3,4-dimethoxyphenyl)-5,7-dimethylchromen-4-ylidene]hydroxylamine.
What is the SMILES notation for (NE)-N-[2-(3,4-dimethoxyphenyl)-5,7-dimethylchromen-4-ylidene]hydroxylamine?
The canonical SMILES for (NE)-N-[2-(3,4-dimethoxyphenyl)-5,7-dimethylchromen-4-ylidene]hydroxylamine is COc1ccc(-c2c/c(=N\O)c3c(C)cc(C)cc3o2)cc1OC.
What is the InChIKey of (NE)-N-[2-(3,4-dimethoxyphenyl)-5,7-dimethylchromen-4-ylidene]hydroxylamine?
The InChIKey is IKDOKXDXSHXTQB-XSFVSMFZSA-N. The full InChI is InChI=1S/C19H19NO4/c1-11-7-12(2)19-14(20-21)10-16(24-18(19)8-11)13-5-6-15(22-3)17(9-13)23-4/h5-10,21H,1-4H3/b20-14+.
What are the key properties of (NE)-N-[2-(3,4-dimethoxyphenyl)-5,7-dimethylchromen-4-ylidene]hydroxylamine?
(NE)-N-[2-(3,4-dimethoxyphenyl)-5,7-dimethylchromen-4-ylidene]hydroxylamine has a molecular weight of 325.36 g/mol, XLogP of 4.02, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-[2-(3,4-dimethoxyphenyl)-5,7-dimethylchromen-4-ylidene]hydroxylamine is sourced from PubChem (CID 6871166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).