(NZ)-N-[3-(3,4-dimethoxyphenyl)-5,6-dimethoxy-2-methyl-2,3-dihydroinden-1-ylidene]hydroxylamine

C20H23NO5 — CID 45480891

IUPAC(NZ)-N-[3-(3,4-dimethoxyphenyl)-5,6-dimethoxy-2-methyl-2,3-dihydroinden-1-ylidene]hydroxylamine
SMILESCOc1ccc(C2c3cc(OC)c(OC)cc3/C(=N\O)C2C)cc1OC
InChIInChI=1S/C20H23NO5/c1-11-19(12-6-7-15(23-2)16(8-12)24-3)13-9-17(25-4)18(26-5)10-14(13)20(11)21-22/h6-11,19,22H,1-5H3/b21-20-
InChIKeyIAWXBXIBZWWNHY-MRCUWXFGSA-N
MW357.41 g/mol
LogP3.68
Rot. Bonds5

About (NZ)-N-[3-(3,4-dimethoxyphenyl)-5,6-dimethoxy-2-methyl-2,3-dihydroinden-1-ylidene]hydroxylamine

(NZ)-N-[3-(3,4-dimethoxyphenyl)-5,6-dimethoxy-2-methyl-2,3-dihydroinden-1-ylidene]hydroxylamine (PubChem CID 45480891) has the molecular formula C20H23NO5 and a molecular weight of 357.41 g/mol. Its IUPAC name is (NZ)-N-[3-(3,4-dimethoxyphenyl)-5,6-dimethoxy-2-methyl-2,3-dihydroinden-1-ylidene]hydroxylamine.

Molecular Properties

Compound Name(NZ)-N-[3-(3,4-dimethoxyphenyl)-5,6-dimethoxy-2-methyl-2,3-dihydroinden-1-ylidene]hydroxylamine
PubChem CID45480891
Molecular FormulaC20H23NO5
Molecular Weight357.41 g/mol
Exact Mass357.16
IUPAC Name(NZ)-N-[3-(3,4-dimethoxyphenyl)-5,6-dimethoxy-2-methyl-2,3-dihydroinden-1-ylidene]hydroxylamine
SMILESCOc1ccc(C2c3cc(OC)c(OC)cc3/C(=N\O)C2C)cc1OC
InChIInChI=1S/C20H23NO5/c1-11-19(12-6-7-15(23-2)16(8-12)24-3)13-9-17(25-4)18(26-5)10-14(13)20(11)21-22/h6-11,19,22H,1-5H3/b21-20-
InChIKeyIAWXBXIBZWWNHY-MRCUWXFGSA-N
XLogP3.68
TPSA69.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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'}

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Related Compounds

(1R,2S,3S,4R)-4-(3,4-dimethoxyphenyl)-6,7-dimethoxy-2,3-dimethyl-1,2,3,4-tetrahydronaphthalen-1-ol
CID 102108255
(1S,2S,3R)-1-(3,4-dimethoxyphenyl)-6,7-dimethoxy-2,3-dimethyl-1,2,3,4-tetrahydronaphthalene
CID 3045276
4-[(1S,2S,3R,4R)-2-(3,4-dimethoxyphenyl)-3,4-dimethylcyclobutyl]-1,2-dimethoxybenzene
CID 166441849
4-[(1R,2R,3S,4S)-2-(3,4-dimethoxyphenyl)-3,4-dimethylcyclobutyl]-1,2-dimethoxybenzene
CID 16756782
(2S,3S)-2-(3,4-dimethoxyphenyl)-6-methoxy-3-methyl-2,3-dihydro-1-benzofuran-5-ol
CID 10358378
N-(5,6-dimethoxy-3-methyl-2,3-dihydroinden-1-ylidene)hydroxylamine
CID 131881394
ethyl (1S,2S,3Z)-1-(3,4-dimethoxyphenyl)-3-(hydroxymethylidene)-6,7-dimethoxy-4-oxo-1,2-dihydronaphthalene-2-carboxylate
CID 92537482
(2R,3S,4S,5S)-2,5-bis(3,4-dimethoxyphenyl)-3,4-dimethylthiolane
CID 70401013
3-(3,4-dimethoxyphenyl)-5,6-dimethoxy-1-methyl-1H-indene
CID 14024787
(NZ)-N-[6-(3,4-dimethoxyphenyl)-7,8-dihydro-6H-benzo[f][1,3]benzodioxol-5-ylidene]hydroxylamine
CID 5383421
4-[(1R,2R)-2-(3,4-dimethoxyphenyl)cyclopropyl]-1,2-dimethoxybenzene
CID 71406141
(1S,3aS,4S,6aS)-1,4-bis(3,4-dimethoxyphenyl)-1,3,3a,4,6,6a-hexahydropentalene-2,5-dione
CID 10364225

Frequently Asked Questions

What is the IUPAC name of (NZ)-N-[3-(3,4-dimethoxyphenyl)-5,6-dimethoxy-2-methyl-2,3-dihydroinden-1-ylidene]hydroxylamine?
The IUPAC name of (NZ)-N-[3-(3,4-dimethoxyphenyl)-5,6-dimethoxy-2-methyl-2,3-dihydroinden-1-ylidene]hydroxylamine (CID 45480891) is (NZ)-N-[3-(3,4-dimethoxyphenyl)-5,6-dimethoxy-2-methyl-2,3-dihydroinden-1-ylidene]hydroxylamine.
What is the SMILES notation for (NZ)-N-[3-(3,4-dimethoxyphenyl)-5,6-dimethoxy-2-methyl-2,3-dihydroinden-1-ylidene]hydroxylamine?
The canonical SMILES for (NZ)-N-[3-(3,4-dimethoxyphenyl)-5,6-dimethoxy-2-methyl-2,3-dihydroinden-1-ylidene]hydroxylamine is COc1ccc(C2c3cc(OC)c(OC)cc3/C(=N\O)C2C)cc1OC.
What is the InChIKey of (NZ)-N-[3-(3,4-dimethoxyphenyl)-5,6-dimethoxy-2-methyl-2,3-dihydroinden-1-ylidene]hydroxylamine?
The InChIKey is IAWXBXIBZWWNHY-MRCUWXFGSA-N. The full InChI is InChI=1S/C20H23NO5/c1-11-19(12-6-7-15(23-2)16(8-12)24-3)13-9-17(25-4)18(26-5)10-14(13)20(11)21-22/h6-11,19,22H,1-5H3/b21-20-.
What are the key properties of (NZ)-N-[3-(3,4-dimethoxyphenyl)-5,6-dimethoxy-2-methyl-2,3-dihydroinden-1-ylidene]hydroxylamine?
(NZ)-N-[3-(3,4-dimethoxyphenyl)-5,6-dimethoxy-2-methyl-2,3-dihydroinden-1-ylidene]hydroxylamine has a molecular weight of 357.41 g/mol, XLogP of 3.68, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (NZ)-N-[3-(3,4-dimethoxyphenyl)-5,6-dimethoxy-2-methyl-2,3-dihydroinden-1-ylidene]hydroxylamine is sourced from PubChem (CID 45480891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).