N-methoxy-1-[4-[2-[4-(N-methoxy-C-propan-2-ylcarbonimidoyl)phenoxy]ethoxy]phenyl]-2-methylpropan-1-imine

C24H32N2O4 — CID 3341648

IUPACN-methoxy-1-[4-[2-[4-(N-methoxy-C-propan-2-ylcarbonimidoyl)phenoxy]ethoxy]phenyl]-2-methylpropan-1-imine
SMILESCON=C(c1ccc(OCCOc2ccc(C(=NOC)C(C)C)cc2)cc1)C(C)C
InChIInChI=1S/C24H32N2O4/c1-17(2)23(25-27-5)19-7-11-21(12-8-19)29-15-16-30-22-13-9-20(10-14-22)24(18(3)4)26-28-6/h7-14,17-18H,15-16H2,1-6H3
InChIKeyPSZHCNCSZQGCMC-UHFFFAOYSA-N
MW412.53 g/mol
LogP5.16
Rot. Bonds11

About N-methoxy-1-[4-[2-[4-(N-methoxy-C-propan-2-ylcarbonimidoyl)phenoxy]ethoxy]phenyl]-2-methylpropan-1-imine

N-methoxy-1-[4-[2-[4-(N-methoxy-C-propan-2-ylcarbonimidoyl)phenoxy]ethoxy]phenyl]-2-methylpropan-1-imine (PubChem CID 3341648) has the molecular formula C24H32N2O4 and a molecular weight of 412.53 g/mol. Its IUPAC name is N-methoxy-1-[4-[2-[4-(N-methoxy-C-propan-2-ylcarbonimidoyl)phenoxy]ethoxy]phenyl]-2-methylpropan-1-imine.

Molecular Properties

Compound NameN-methoxy-1-[4-[2-[4-(N-methoxy-C-propan-2-ylcarbonimidoyl)phenoxy]ethoxy]phenyl]-2-methylpropan-1-imine
PubChem CID3341648
Molecular FormulaC24H32N2O4
Molecular Weight412.53 g/mol
Exact Mass412.24
IUPAC NameN-methoxy-1-[4-[2-[4-(N-methoxy-C-propan-2-ylcarbonimidoyl)phenoxy]ethoxy]phenyl]-2-methylpropan-1-imine
SMILESCON=C(c1ccc(OCCOc2ccc(C(=NOC)C(C)C)cc2)cc1)C(C)C
InChIInChI=1S/C24H32N2O4/c1-17(2)23(25-27-5)19-7-11-21(12-8-19)29-15-16-30-22-13-9-20(10-14-22)24(18(3)4)26-28-6/h7-14,17-18H,15-16H2,1-6H3
InChIKeyPSZHCNCSZQGCMC-UHFFFAOYSA-N
XLogP5.16
TPSA61.64 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.53
LogP ≤ 55.16
H-Bond Donors ≤ 50
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': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-methoxy-1-[4-[2-[4-(N-methoxy-C-propan-2-ylcarbonimidoyl)phenoxy]ethoxy]phenyl]-2-methylpropan-1-imine?
The IUPAC name of N-methoxy-1-[4-[2-[4-(N-methoxy-C-propan-2-ylcarbonimidoyl)phenoxy]ethoxy]phenyl]-2-methylpropan-1-imine (CID 3341648) is N-methoxy-1-[4-[2-[4-(N-methoxy-C-propan-2-ylcarbonimidoyl)phenoxy]ethoxy]phenyl]-2-methylpropan-1-imine.
What is the SMILES notation for N-methoxy-1-[4-[2-[4-(N-methoxy-C-propan-2-ylcarbonimidoyl)phenoxy]ethoxy]phenyl]-2-methylpropan-1-imine?
The canonical SMILES for N-methoxy-1-[4-[2-[4-(N-methoxy-C-propan-2-ylcarbonimidoyl)phenoxy]ethoxy]phenyl]-2-methylpropan-1-imine is CON=C(c1ccc(OCCOc2ccc(C(=NOC)C(C)C)cc2)cc1)C(C)C.
What is the InChIKey of N-methoxy-1-[4-[2-[4-(N-methoxy-C-propan-2-ylcarbonimidoyl)phenoxy]ethoxy]phenyl]-2-methylpropan-1-imine?
The InChIKey is PSZHCNCSZQGCMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N2O4/c1-17(2)23(25-27-5)19-7-11-21(12-8-19)29-15-16-30-22-13-9-20(10-14-22)24(18(3)4)26-28-6/h7-14,17-18H,15-16H2,1-6H3.
What are the key properties of N-methoxy-1-[4-[2-[4-(N-methoxy-C-propan-2-ylcarbonimidoyl)phenoxy]ethoxy]phenyl]-2-methylpropan-1-imine?
N-methoxy-1-[4-[2-[4-(N-methoxy-C-propan-2-ylcarbonimidoyl)phenoxy]ethoxy]phenyl]-2-methylpropan-1-imine has a molecular weight of 412.53 g/mol, XLogP of 5.16, 11 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methoxy-1-[4-[2-[4-(N-methoxy-C-propan-2-ylcarbonimidoyl)phenoxy]ethoxy]phenyl]-2-methylpropan-1-imine is sourced from PubChem (CID 3341648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).