N-[(E)-(2-bromo-5-methoxyphenyl)methylideneamino]-2-(4-phenylmethoxyphenoxy)propanamide

C24H23BrN2O4 — CID 171979500

IUPACN-[(E)-(2-bromo-5-methoxyphenyl)methylideneamino]-2-(4-phenylmethoxyphenoxy)propanamide
SMILESCOc1ccc(Br)c(/C=N/NC(=O)C(C)Oc2ccc(OCc3ccccc3)cc2)c1
InChIInChI=1S/C24H23BrN2O4/c1-17(24(28)27-26-15-19-14-22(29-2)12-13-23(19)25)31-21-10-8-20(9-11-21)30-16-18-6-4-3-5-7-18/h3-15,17H,16H2,1-2H3,(H,27,28)/b26-15+
InChIKeyMFXRMDWSWXLASH-CVKSISIWSA-N
MW483.36 g/mol
LogP4.95
Rot. Bonds9

About N-[(E)-(2-bromo-5-methoxyphenyl)methylideneamino]-2-(4-phenylmethoxyphenoxy)propanamide

N-[(E)-(2-bromo-5-methoxyphenyl)methylideneamino]-2-(4-phenylmethoxyphenoxy)propanamide (PubChem CID 171979500) has the molecular formula C24H23BrN2O4 and a molecular weight of 483.36 g/mol. Its IUPAC name is N-[(E)-(2-bromo-5-methoxyphenyl)methylideneamino]-2-(4-phenylmethoxyphenoxy)propanamide.

Molecular Properties

Compound NameN-[(E)-(2-bromo-5-methoxyphenyl)methylideneamino]-2-(4-phenylmethoxyphenoxy)propanamide
PubChem CID171979500
Molecular FormulaC24H23BrN2O4
Molecular Weight483.36 g/mol
Exact Mass482.08
IUPAC NameN-[(E)-(2-bromo-5-methoxyphenyl)methylideneamino]-2-(4-phenylmethoxyphenoxy)propanamide
SMILESCOc1ccc(Br)c(/C=N/NC(=O)C(C)Oc2ccc(OCc3ccccc3)cc2)c1
InChIInChI=1S/C24H23BrN2O4/c1-17(24(28)27-26-15-19-14-22(29-2)12-13-23(19)25)31-21-10-8-20(9-11-21)30-16-18-6-4-3-5-7-18/h3-15,17H,16H2,1-2H3,(H,27,28)/b26-15+
InChIKeyMFXRMDWSWXLASH-CVKSISIWSA-N
XLogP4.95
TPSA69.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.36
LogP ≤ 54.95
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-[(2-bromo-5-methoxyphenyl)methylideneamino]-2-(4-pentoxyphenoxy)propanamide
CID 4068820
N-[(Z)-(2-bromo-5-methoxyphenyl)methylideneamino]-2-(4-pentoxyphenoxy)propanamide
CID 6002261
N-[(2,3-dimethoxyphenyl)methylideneamino]-2-(4-phenylmethoxyphenoxy)propanamide
CID 2851618
N-[(4-hydroxyphenyl)methylideneamino]-2-(4-phenylmethoxyphenoxy)propanamide
CID 4674531
N-[(E)-(2-bromo-5-methoxyphenyl)methylideneamino]-2-naphthalen-1-yloxypropanamide
CID 5335057
(2S)-2-(4-chlorophenoxy)-N-[(E)-(4-phenylmethoxyphenyl)methylideneamino]propanamide
CID 6896991
[4-[[2-(4-phenylmethoxyphenoxy)propanoylhydrazinylidene]methyl]phenyl] 2-bromobenzoate
CID 3415013
[4-[[2-(4-phenylmethoxyphenoxy)propanoylhydrazinylidene]methyl]phenyl] benzoate
CID 4048506
[4-bromo-2-[[2-(4-phenylmethoxyphenoxy)propanoylhydrazinylidene]methyl]phenyl] 3-phenylprop-2-enoate
CID 4069532
(2S)-2-(2-bromophenoxy)-N-[(2-ethoxy-5-methoxyphenyl)methylideneamino]propanamide
CID 1219362
N-[[2-[(3-methoxyphenyl)methoxy]phenyl]methylideneamino]-2-naphthalen-2-yloxypropanamide
CID 3542949
2-(4-bromophenoxy)-N-[[2-[(3-bromophenyl)methoxy]phenyl]methylideneamino]propanamide
CID 3684614

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(2-bromo-5-methoxyphenyl)methylideneamino]-2-(4-phenylmethoxyphenoxy)propanamide?
The IUPAC name of N-[(E)-(2-bromo-5-methoxyphenyl)methylideneamino]-2-(4-phenylmethoxyphenoxy)propanamide (CID 171979500) is N-[(E)-(2-bromo-5-methoxyphenyl)methylideneamino]-2-(4-phenylmethoxyphenoxy)propanamide.
What is the SMILES notation for N-[(E)-(2-bromo-5-methoxyphenyl)methylideneamino]-2-(4-phenylmethoxyphenoxy)propanamide?
The canonical SMILES for N-[(E)-(2-bromo-5-methoxyphenyl)methylideneamino]-2-(4-phenylmethoxyphenoxy)propanamide is COc1ccc(Br)c(/C=N/NC(=O)C(C)Oc2ccc(OCc3ccccc3)cc2)c1.
What is the InChIKey of N-[(E)-(2-bromo-5-methoxyphenyl)methylideneamino]-2-(4-phenylmethoxyphenoxy)propanamide?
The InChIKey is MFXRMDWSWXLASH-CVKSISIWSA-N. The full InChI is InChI=1S/C24H23BrN2O4/c1-17(24(28)27-26-15-19-14-22(29-2)12-13-23(19)25)31-21-10-8-20(9-11-21)30-16-18-6-4-3-5-7-18/h3-15,17H,16H2,1-2H3,(H,27,28)/b26-15+.
What are the key properties of N-[(E)-(2-bromo-5-methoxyphenyl)methylideneamino]-2-(4-phenylmethoxyphenoxy)propanamide?
N-[(E)-(2-bromo-5-methoxyphenyl)methylideneamino]-2-(4-phenylmethoxyphenoxy)propanamide has a molecular weight of 483.36 g/mol, XLogP of 4.95, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(2-bromo-5-methoxyphenyl)methylideneamino]-2-(4-phenylmethoxyphenoxy)propanamide is sourced from PubChem (CID 171979500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).