N-[(Z)-(3-bromo-5-methoxy-4-propan-2-yloxyphenyl)methylideneamino]-4-ethoxybenzamide

C20H23BrN2O4 — CID 29148839

IUPACN-[(Z)-(3-bromo-5-methoxy-4-propan-2-yloxyphenyl)methylideneamino]-4-ethoxybenzamide
SMILESCCOc1ccc(C(=O)N/N=C\c2cc(Br)c(OC(C)C)c(OC)c2)cc1
InChIInChI=1S/C20H23BrN2O4/c1-5-26-16-8-6-15(7-9-16)20(24)23-22-12-14-10-17(21)19(27-13(2)3)18(11-14)25-4/h6-13H,5H2,1-4H3,(H,23,24)/b22-12-
InChIKeyMAIOUBATFFJWBG-UUYOSTAYSA-N
MW435.32 g/mol
LogP4.41
Rot. Bonds8

About N-[(Z)-(3-bromo-5-methoxy-4-propan-2-yloxyphenyl)methylideneamino]-4-ethoxybenzamide

N-[(Z)-(3-bromo-5-methoxy-4-propan-2-yloxyphenyl)methylideneamino]-4-ethoxybenzamide (PubChem CID 29148839) has the molecular formula C20H23BrN2O4 and a molecular weight of 435.32 g/mol. Its IUPAC name is N-[(Z)-(3-bromo-5-methoxy-4-propan-2-yloxyphenyl)methylideneamino]-4-ethoxybenzamide.

Molecular Properties

Compound NameN-[(Z)-(3-bromo-5-methoxy-4-propan-2-yloxyphenyl)methylideneamino]-4-ethoxybenzamide
PubChem CID29148839
Molecular FormulaC20H23BrN2O4
Molecular Weight435.32 g/mol
Exact Mass434.08
IUPAC NameN-[(Z)-(3-bromo-5-methoxy-4-propan-2-yloxyphenyl)methylideneamino]-4-ethoxybenzamide
SMILESCCOc1ccc(C(=O)N/N=C\c2cc(Br)c(OC(C)C)c(OC)c2)cc1
InChIInChI=1S/C20H23BrN2O4/c1-5-26-16-8-6-15(7-9-16)20(24)23-22-12-14-10-17(21)19(27-13(2)3)18(11-14)25-4/h6-13H,5H2,1-4H3,(H,23,24)/b22-12-
InChIKeyMAIOUBATFFJWBG-UUYOSTAYSA-N
XLogP4.41
TPSA69.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.32
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[(Z)-(3-bromo-5-methoxy-4-prop-2-enoxyphenyl)methylideneamino]-4-ethoxybenzamide
CID 29148844
N-[(Z)-(3-bromo-4-hydroxy-5-methoxyphenyl)methylideneamino]-4-ethoxybenzamide
CID 137122703
N-[(Z)-(3-bromo-5-methoxy-4-propan-2-yloxyphenyl)methylideneamino]pyridine-4-carboxamide
CID 110514781
N-[(E)-(3-bromo-5-methoxy-4-propan-2-yloxyphenyl)methylideneamino]-5-ethoxy-1-benzofuran-2-carboxamide
CID 126193862
N-[(Z)-(3-bromo-4,5-dimethoxyphenyl)methylideneamino]-4-propoxybenzamide
CID 92658848
N-[(Z)-(3-bromo-5-ethoxy-4-propan-2-yloxyphenyl)methylideneamino]-3-methoxynaphthalene-2-carboxamide
CID 6252415
N-[(E)-(3-chloro-5-methoxy-4-propan-2-yloxyphenyl)methylideneamino]-4-propoxybenzamide
CID 133169757
N-[(Z)-(3-chloro-5-methoxy-4-propan-2-yloxyphenyl)methylideneamino]-4-propoxybenzamide
CID 92659125
N-[(E)-(3-bromo-4,5-dimethoxyphenyl)methylideneamino]-3,4-diethoxybenzamide
CID 126320857
N-[(Z)-(3-bromo-4-methoxyphenyl)methylideneamino]-4-propan-2-yloxybenzamide
CID 9215777
N-[(E)-(3,4-dihydroxy-5-methoxyphenyl)methylideneamino]-4-ethoxybenzamide
CID 135577251
N-[(Z)-(3-bromo-4-ethoxy-5-methoxyphenyl)methylideneamino]-2,4-dimethoxybenzamide
CID 6301205

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(3-bromo-5-methoxy-4-propan-2-yloxyphenyl)methylideneamino]-4-ethoxybenzamide?
The IUPAC name of N-[(Z)-(3-bromo-5-methoxy-4-propan-2-yloxyphenyl)methylideneamino]-4-ethoxybenzamide (CID 29148839) is N-[(Z)-(3-bromo-5-methoxy-4-propan-2-yloxyphenyl)methylideneamino]-4-ethoxybenzamide.
What is the SMILES notation for N-[(Z)-(3-bromo-5-methoxy-4-propan-2-yloxyphenyl)methylideneamino]-4-ethoxybenzamide?
The canonical SMILES for N-[(Z)-(3-bromo-5-methoxy-4-propan-2-yloxyphenyl)methylideneamino]-4-ethoxybenzamide is CCOc1ccc(C(=O)N/N=C\c2cc(Br)c(OC(C)C)c(OC)c2)cc1.
What is the InChIKey of N-[(Z)-(3-bromo-5-methoxy-4-propan-2-yloxyphenyl)methylideneamino]-4-ethoxybenzamide?
The InChIKey is MAIOUBATFFJWBG-UUYOSTAYSA-N. The full InChI is InChI=1S/C20H23BrN2O4/c1-5-26-16-8-6-15(7-9-16)20(24)23-22-12-14-10-17(21)19(27-13(2)3)18(11-14)25-4/h6-13H,5H2,1-4H3,(H,23,24)/b22-12-.
What are the key properties of N-[(Z)-(3-bromo-5-methoxy-4-propan-2-yloxyphenyl)methylideneamino]-4-ethoxybenzamide?
N-[(Z)-(3-bromo-5-methoxy-4-propan-2-yloxyphenyl)methylideneamino]-4-ethoxybenzamide has a molecular weight of 435.32 g/mol, XLogP of 4.41, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(3-bromo-5-methoxy-4-propan-2-yloxyphenyl)methylideneamino]-4-ethoxybenzamide is sourced from PubChem (CID 29148839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).