N-methoxy-1-[4-(2-methylidenebutoxy)phenyl]-1-(4-nitrophenyl)methanimine

C19H20N2O4 — CID 76696784

IUPACN-methoxy-1-[4-(2-methylidenebutoxy)phenyl]-1-(4-nitrophenyl)methanimine
SMILESC=C(CC)COc1ccc(C(=NOC)c2ccc([N+](=O)[O-])cc2)cc1
InChIInChI=1S/C19H20N2O4/c1-4-14(2)13-25-18-11-7-16(8-12-18)19(20-24-3)15-5-9-17(10-6-15)21(22)23/h5-12H,2,4,13H2,1,3H3
InChIKeyYZUMGAKGNOFPNX-UHFFFAOYSA-N
MW340.38 g/mol
LogP4.34
Rot. Bonds8

About N-methoxy-1-[4-(2-methylidenebutoxy)phenyl]-1-(4-nitrophenyl)methanimine

N-methoxy-1-[4-(2-methylidenebutoxy)phenyl]-1-(4-nitrophenyl)methanimine (PubChem CID 76696784) has the molecular formula C19H20N2O4 and a molecular weight of 340.38 g/mol. Its IUPAC name is N-methoxy-1-[4-(2-methylidenebutoxy)phenyl]-1-(4-nitrophenyl)methanimine.

Molecular Properties

Compound NameN-methoxy-1-[4-(2-methylidenebutoxy)phenyl]-1-(4-nitrophenyl)methanimine
PubChem CID76696784
Molecular FormulaC19H20N2O4
Molecular Weight340.38 g/mol
Exact Mass340.14
IUPAC NameN-methoxy-1-[4-(2-methylidenebutoxy)phenyl]-1-(4-nitrophenyl)methanimine
SMILESC=C(CC)COc1ccc(C(=NOC)c2ccc([N+](=O)[O-])cc2)cc1
InChIInChI=1S/C19H20N2O4/c1-4-14(2)13-25-18-11-7-16(8-12-18)19(20-24-3)15-5-9-17(10-6-15)21(22)23/h5-12H,2,4,13H2,1,3H3
InChIKeyYZUMGAKGNOFPNX-UHFFFAOYSA-N
XLogP4.34
TPSA73.96 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-methoxy-1-[4-(2-methylidenebutoxy)phenyl]-1-(4-nitrophenyl)methanimine 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

(Z)-N-methoxy-1-(4-methylphenyl)-1-[4-[2-(4-nitrophenoxy)ethoxy]phenyl]methanimine
CID 6529063
1-bromo-2-(2-methylidenebutoxy)-4-nitrobenzene
CID 102975219
1-methoxy-3-(4-nitrophenoxy)propan-2-one
CID 107508000
1-nitro-4-[1-(4-octoxyphenyl)ethenyl]benzene
CID 19835485
1-[1-(4-methoxyphenyl)ethenyl]-4-nitrobenzene
CID 14961617
2-(4-nitrophenoxy)-1-(4-propylphenyl)ethanone
CID 52888465
N-(4-nitrophenyl)-2-(4-propanoylphenoxy)acetamide
CID 9395370
N-[(E)-1-(4-hydroxyphenyl)propylideneamino]-2-(4-nitrophenoxy)acetamide
CID 135560389
N-[[4-[2-(4-nitrophenoxy)ethoxy]phenyl]-phenylmethylidene]hydroxylamine
CID 71951323
2-(4-nitrophenoxy)-N-[1-(4-nitrophenyl)ethylideneamino]acetamide
CID 3480695
N'-hydroxy-2-(4-nitrophenoxy)ethanimidamide
CID 17052821
(E)-N-(4-nitrophenoxy)butan-2-imine
CID 11333252

Frequently Asked Questions

What is the IUPAC name of N-methoxy-1-[4-(2-methylidenebutoxy)phenyl]-1-(4-nitrophenyl)methanimine?
The IUPAC name of N-methoxy-1-[4-(2-methylidenebutoxy)phenyl]-1-(4-nitrophenyl)methanimine (CID 76696784) is N-methoxy-1-[4-(2-methylidenebutoxy)phenyl]-1-(4-nitrophenyl)methanimine.
What is the SMILES notation for N-methoxy-1-[4-(2-methylidenebutoxy)phenyl]-1-(4-nitrophenyl)methanimine?
The canonical SMILES for N-methoxy-1-[4-(2-methylidenebutoxy)phenyl]-1-(4-nitrophenyl)methanimine is C=C(CC)COc1ccc(C(=NOC)c2ccc([N+](=O)[O-])cc2)cc1.
What is the InChIKey of N-methoxy-1-[4-(2-methylidenebutoxy)phenyl]-1-(4-nitrophenyl)methanimine?
The InChIKey is YZUMGAKGNOFPNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O4/c1-4-14(2)13-25-18-11-7-16(8-12-18)19(20-24-3)15-5-9-17(10-6-15)21(22)23/h5-12H,2,4,13H2,1,3H3.
What are the key properties of N-methoxy-1-[4-(2-methylidenebutoxy)phenyl]-1-(4-nitrophenyl)methanimine?
N-methoxy-1-[4-(2-methylidenebutoxy)phenyl]-1-(4-nitrophenyl)methanimine has a molecular weight of 340.38 g/mol, XLogP of 4.34, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methoxy-1-[4-(2-methylidenebutoxy)phenyl]-1-(4-nitrophenyl)methanimine is sourced from PubChem (CID 76696784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).