(Z)-1-(3-methoxy-4-propoxyphenyl)-N-[(1R)-1-(3-nitrophenyl)ethoxy]methanimine

C19H22N2O5 — CID 9355033

IUPAC(Z)-1-(3-methoxy-4-propoxyphenyl)-N-[(1R)-1-(3-nitrophenyl)ethoxy]methanimine
SMILESCCCOc1ccc(/C=N\O[C@H](C)c2cccc([N+](=O)[O-])c2)cc1OC
InChIInChI=1S/C19H22N2O5/c1-4-10-25-18-9-8-15(11-19(18)24-3)13-20-26-14(2)16-6-5-7-17(12-16)21(22)23/h5-9,11-14H,4,10H2,1-3H3/b20-13-/t14-/m1/s1
InChIKeyHQTYMJWEUDHAJO-KELUXRKGSA-N
MW358.39 g/mol
LogP4.50
Rot. Bonds9

About (Z)-1-(3-methoxy-4-propoxyphenyl)-N-[(1R)-1-(3-nitrophenyl)ethoxy]methanimine

(Z)-1-(3-methoxy-4-propoxyphenyl)-N-[(1R)-1-(3-nitrophenyl)ethoxy]methanimine (PubChem CID 9355033) has the molecular formula C19H22N2O5 and a molecular weight of 358.39 g/mol. Its IUPAC name is (Z)-1-(3-methoxy-4-propoxyphenyl)-N-[(1R)-1-(3-nitrophenyl)ethoxy]methanimine.

Molecular Properties

Compound Name(Z)-1-(3-methoxy-4-propoxyphenyl)-N-[(1R)-1-(3-nitrophenyl)ethoxy]methanimine
PubChem CID9355033
Molecular FormulaC19H22N2O5
Molecular Weight358.39 g/mol
Exact Mass358.15
IUPAC Name(Z)-1-(3-methoxy-4-propoxyphenyl)-N-[(1R)-1-(3-nitrophenyl)ethoxy]methanimine
SMILESCCCOc1ccc(/C=N\O[C@H](C)c2cccc([N+](=O)[O-])c2)cc1OC
InChIInChI=1S/C19H22N2O5/c1-4-10-25-18-9-8-15(11-19(18)24-3)13-20-26-14(2)16-6-5-7-17(12-16)21(22)23/h5-9,11-14H,4,10H2,1-3H3/b20-13-/t14-/m1/s1
InChIKeyHQTYMJWEUDHAJO-KELUXRKGSA-N
XLogP4.50
TPSA83.19 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.39
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

(Z)-1-(3-fluorophenyl)-N-[(1R)-1-(3-nitrophenyl)ethoxy]methanimine
CID 9354689
2-methoxy-4-nitro-1-propoxybenzene
CID 131858212
1-methoxy-4-nitro-2-[(1S)-1-(3-nitrophenyl)ethoxy]benzene
CID 9356044
(Z)-1-(2-methylphenyl)-N-[(1S)-1-(3-nitrophenyl)ethoxy]methanimine
CID 9354560
N-[(E)-(4-methoxy-3-propoxyphenyl)methylideneamino]-4-nitroaniline
CID 110506441
1-[3-methoxy-4-(3-methylbutoxy)phenyl]-N-(2-methoxy-4-nitrophenyl)methanimine
CID 23875814
(E)-3-(3-methoxy-4-propoxyphenyl)-1-[4-(3-nitrophenyl)piperazin-1-yl]prop-2-en-1-one
CID 55742942
(Z)-1-(2,3-dichlorophenyl)-N-[(1R)-1-(3-nitrophenyl)ethoxy]methanimine
CID 9355492
N-[(Z)-(3-ethoxy-4-propoxyphenyl)methylideneamino]-3-nitrobenzamide
CID 9016103
2-[1-(3-methoxy-4-propoxyphenyl)ethylamino]-N-(3-nitrophenyl)propanamide
CID 55914990
2-[(Z)-(3-methoxy-4-propoxyphenyl)methylideneamino]oxyacetamide
CID 7700024
N-[(4-butoxy-3-ethoxyphenyl)methylideneamino]-3-nitroaniline
CID 110842266

Frequently Asked Questions

What is the IUPAC name of (Z)-1-(3-methoxy-4-propoxyphenyl)-N-[(1R)-1-(3-nitrophenyl)ethoxy]methanimine?
The IUPAC name of (Z)-1-(3-methoxy-4-propoxyphenyl)-N-[(1R)-1-(3-nitrophenyl)ethoxy]methanimine (CID 9355033) is (Z)-1-(3-methoxy-4-propoxyphenyl)-N-[(1R)-1-(3-nitrophenyl)ethoxy]methanimine.
What is the SMILES notation for (Z)-1-(3-methoxy-4-propoxyphenyl)-N-[(1R)-1-(3-nitrophenyl)ethoxy]methanimine?
The canonical SMILES for (Z)-1-(3-methoxy-4-propoxyphenyl)-N-[(1R)-1-(3-nitrophenyl)ethoxy]methanimine is CCCOc1ccc(/C=N\O[C@H](C)c2cccc([N+](=O)[O-])c2)cc1OC.
What is the InChIKey of (Z)-1-(3-methoxy-4-propoxyphenyl)-N-[(1R)-1-(3-nitrophenyl)ethoxy]methanimine?
The InChIKey is HQTYMJWEUDHAJO-KELUXRKGSA-N. The full InChI is InChI=1S/C19H22N2O5/c1-4-10-25-18-9-8-15(11-19(18)24-3)13-20-26-14(2)16-6-5-7-17(12-16)21(22)23/h5-9,11-14H,4,10H2,1-3H3/b20-13-/t14-/m1/s1.
What are the key properties of (Z)-1-(3-methoxy-4-propoxyphenyl)-N-[(1R)-1-(3-nitrophenyl)ethoxy]methanimine?
(Z)-1-(3-methoxy-4-propoxyphenyl)-N-[(1R)-1-(3-nitrophenyl)ethoxy]methanimine has a molecular weight of 358.39 g/mol, XLogP of 4.50, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-(3-methoxy-4-propoxyphenyl)-N-[(1R)-1-(3-nitrophenyl)ethoxy]methanimine is sourced from PubChem (CID 9355033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).