(NZ)-N-[1-[2-(3,4-dimethoxyphenyl)ethylamino]-3-(3-methylphenoxy)propan-2-ylidene]hydroxylamine

C20H26N2O4 — CID 23256616

IUPAC(NZ)-N-[1-[2-(3,4-dimethoxyphenyl)ethylamino]-3-(3-methylphenoxy)propan-2-ylidene]hydroxylamine
SMILESCOc1ccc(CCNC/C(COc2cccc(C)c2)=N/O)cc1OC
InChIInChI=1S/C20H26N2O4/c1-15-5-4-6-18(11-15)26-14-17(22-23)13-21-10-9-16-7-8-19(24-2)20(12-16)25-3/h4-8,11-12,21,23H,9-10,13-14H2,1-3H3/b22-17-
InChIKeyVZRGKBAHXYJNAT-XLNRJJMWSA-N
MW358.44 g/mol
LogP3.05
Rot. Bonds10

About (NZ)-N-[1-[2-(3,4-dimethoxyphenyl)ethylamino]-3-(3-methylphenoxy)propan-2-ylidene]hydroxylamine

(NZ)-N-[1-[2-(3,4-dimethoxyphenyl)ethylamino]-3-(3-methylphenoxy)propan-2-ylidene]hydroxylamine (PubChem CID 23256616) has the molecular formula C20H26N2O4 and a molecular weight of 358.44 g/mol. Its IUPAC name is (NZ)-N-[1-[2-(3,4-dimethoxyphenyl)ethylamino]-3-(3-methylphenoxy)propan-2-ylidene]hydroxylamine.

Molecular Properties

Compound Name(NZ)-N-[1-[2-(3,4-dimethoxyphenyl)ethylamino]-3-(3-methylphenoxy)propan-2-ylidene]hydroxylamine
PubChem CID23256616
Molecular FormulaC20H26N2O4
Molecular Weight358.44 g/mol
Exact Mass358.19
IUPAC Name(NZ)-N-[1-[2-(3,4-dimethoxyphenyl)ethylamino]-3-(3-methylphenoxy)propan-2-ylidene]hydroxylamine
SMILESCOc1ccc(CCNC/C(COc2cccc(C)c2)=N/O)cc1OC
InChIInChI=1S/C20H26N2O4/c1-15-5-4-6-18(11-15)26-14-17(22-23)13-21-10-9-16-7-8-19(24-2)20(12-16)25-3/h4-8,11-12,21,23H,9-10,13-14H2,1-3H3/b22-17-
InChIKeyVZRGKBAHXYJNAT-XLNRJJMWSA-N
XLogP3.05
TPSA72.31 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.44
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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

(2S)-1-[2-(3,4-dimethoxyphenyl)ethylamino]-3-(3-methylphenoxy)propan-2-ol;hydrochloride
CID 76968419
(2S)-2-[2-(3,4-dimethoxyphenyl)ethylamino]-3-(3-methylphenoxy)propan-1-ol
CID 97356999
CID 145142158
CID 145142158
2-(3,4-dimethoxyphenyl)-N'-[2-(3-methylphenoxy)acetyl]acetohydrazide
CID 7808998
2-[2-(3,4-dimethoxyphenyl)ethylamino]-N-(2,5-dimethylphenyl)acetamide
CID 109002699
2-(3,4-dimethoxyphenyl)-N-[[3-[(4-methylphenyl)methoxy]phenyl]methyl]ethanamine;hydrochloride
CID 17055084
2-(3,4-dimethoxyphenyl)-N-[3-(3-methylphenoxy)propyl]acetamide
CID 24533354
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(3-iodophenoxy)acetamide
CID 34578953
[2-[2-(3-methylphenoxy)ethylamino]-2-oxoethyl] 2-(3,4-dimethoxyphenyl)acetate
CID 29349192
2-chloro-N-[2-(3,4-dimethoxyphenyl)ethyl]prop-2-en-1-amine
CID 60689859
2-(3,4-dimethoxyphenyl)ethyl-[(2R)-2-hydroxy-3-(3-methylphenoxy)propyl]azanium
CID 36690918
2-cyano-N-[2-[3-methoxy-4-[2-(3-methylphenoxy)ethoxy]phenyl]ethyl]acetamide
CID 22687178

Frequently Asked Questions

What is the IUPAC name of (NZ)-N-[1-[2-(3,4-dimethoxyphenyl)ethylamino]-3-(3-methylphenoxy)propan-2-ylidene]hydroxylamine?
The IUPAC name of (NZ)-N-[1-[2-(3,4-dimethoxyphenyl)ethylamino]-3-(3-methylphenoxy)propan-2-ylidene]hydroxylamine (CID 23256616) is (NZ)-N-[1-[2-(3,4-dimethoxyphenyl)ethylamino]-3-(3-methylphenoxy)propan-2-ylidene]hydroxylamine.
What is the SMILES notation for (NZ)-N-[1-[2-(3,4-dimethoxyphenyl)ethylamino]-3-(3-methylphenoxy)propan-2-ylidene]hydroxylamine?
The canonical SMILES for (NZ)-N-[1-[2-(3,4-dimethoxyphenyl)ethylamino]-3-(3-methylphenoxy)propan-2-ylidene]hydroxylamine is COc1ccc(CCNC/C(COc2cccc(C)c2)=N/O)cc1OC.
What is the InChIKey of (NZ)-N-[1-[2-(3,4-dimethoxyphenyl)ethylamino]-3-(3-methylphenoxy)propan-2-ylidene]hydroxylamine?
The InChIKey is VZRGKBAHXYJNAT-XLNRJJMWSA-N. The full InChI is InChI=1S/C20H26N2O4/c1-15-5-4-6-18(11-15)26-14-17(22-23)13-21-10-9-16-7-8-19(24-2)20(12-16)25-3/h4-8,11-12,21,23H,9-10,13-14H2,1-3H3/b22-17-.
What are the key properties of (NZ)-N-[1-[2-(3,4-dimethoxyphenyl)ethylamino]-3-(3-methylphenoxy)propan-2-ylidene]hydroxylamine?
(NZ)-N-[1-[2-(3,4-dimethoxyphenyl)ethylamino]-3-(3-methylphenoxy)propan-2-ylidene]hydroxylamine has a molecular weight of 358.44 g/mol, XLogP of 3.05, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (NZ)-N-[1-[2-(3,4-dimethoxyphenyl)ethylamino]-3-(3-methylphenoxy)propan-2-ylidene]hydroxylamine is sourced from PubChem (CID 23256616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).