N-[(3-bromo-4-methoxyphenyl)methylideneamino]-2-(3-methylphenoxy)propanamide

C18H19BrN2O3 — CID 19170462

IUPACN-[(3-bromo-4-methoxyphenyl)methylideneamino]-2-(3-methylphenoxy)propanamide
SMILESCOc1ccc(C=NNC(=O)C(C)Oc2cccc(C)c2)cc1Br
InChIInChI=1S/C18H19BrN2O3/c1-12-5-4-6-15(9-12)24-13(2)18(22)21-20-11-14-7-8-17(23-3)16(19)10-14/h4-11,13H,1-3H3,(H,21,22)
InChIKeyDCVPQGUHHJGVID-UHFFFAOYSA-N
MW391.27 g/mol
LogP3.68
Rot. Bonds6

About N-[(3-bromo-4-methoxyphenyl)methylideneamino]-2-(3-methylphenoxy)propanamide

N-[(3-bromo-4-methoxyphenyl)methylideneamino]-2-(3-methylphenoxy)propanamide (PubChem CID 19170462) has the molecular formula C18H19BrN2O3 and a molecular weight of 391.27 g/mol. Its IUPAC name is N-[(3-bromo-4-methoxyphenyl)methylideneamino]-2-(3-methylphenoxy)propanamide.

Molecular Properties

Compound NameN-[(3-bromo-4-methoxyphenyl)methylideneamino]-2-(3-methylphenoxy)propanamide
PubChem CID19170462
Molecular FormulaC18H19BrN2O3
Molecular Weight391.27 g/mol
Exact Mass390.06
IUPAC NameN-[(3-bromo-4-methoxyphenyl)methylideneamino]-2-(3-methylphenoxy)propanamide
SMILESCOc1ccc(C=NNC(=O)C(C)Oc2cccc(C)c2)cc1Br
InChIInChI=1S/C18H19BrN2O3/c1-12-5-4-6-15(9-12)24-13(2)18(22)21-20-11-14-7-8-17(23-3)16(19)10-14/h4-11,13H,1-3H3,(H,21,22)
InChIKeyDCVPQGUHHJGVID-UHFFFAOYSA-N
XLogP3.68
TPSA59.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.27
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-[(3-bromo-4-methoxyphenyl)methylideneamino]-2-(2-bromo-4-methylphenoxy)propanamide
CID 19170550
N-[(E)-(4-hydroxyphenyl)methylideneamino]-2-(3-methylphenoxy)propanamide
CID 135886344
2-(2-bromo-4-methylphenoxy)-N-[(4-hydroxy-3-methoxyphenyl)methylideneamino]propanamide
CID 2789102
(2S)-N-[(4-chlorophenyl)methylideneamino]-2-(3-methylphenoxy)propanamide
CID 727867
(2R)-N-[(Z)-(4-ethylphenyl)methylideneamino]-2-(3-methylphenoxy)propanamide
CID 5397085
2-(2-bromo-4-methylphenoxy)-N-[(2,3-dimethoxyphenyl)methylideneamino]propanamide
CID 19170531
N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-2-(3-methylphenoxy)propanamide
CID 135604305
2-(4-bromophenoxy)-N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]propanamide
CID 135615985
N-[(Z)-(3-bromo-4-methoxyphenyl)methylideneamino]-4-propan-2-yloxybenzamide
CID 9215777
(2S)-2-(3-bromophenoxy)-N-[(E)-(4-hydroxyphenyl)methylideneamino]propanamide
CID 135784407
(2R)-2-(3-bromophenoxy)-N-[(E)-(4-hydroxyphenyl)methylideneamino]propanamide
CID 135784413
N-[(E)-(3-bromo-4,5-dimethoxyphenyl)methylideneamino]-2-(4-phenylphenoxy)propanamide
CID 19208314

Frequently Asked Questions

What is the IUPAC name of N-[(3-bromo-4-methoxyphenyl)methylideneamino]-2-(3-methylphenoxy)propanamide?
The IUPAC name of N-[(3-bromo-4-methoxyphenyl)methylideneamino]-2-(3-methylphenoxy)propanamide (CID 19170462) is N-[(3-bromo-4-methoxyphenyl)methylideneamino]-2-(3-methylphenoxy)propanamide.
What is the SMILES notation for N-[(3-bromo-4-methoxyphenyl)methylideneamino]-2-(3-methylphenoxy)propanamide?
The canonical SMILES for N-[(3-bromo-4-methoxyphenyl)methylideneamino]-2-(3-methylphenoxy)propanamide is COc1ccc(C=NNC(=O)C(C)Oc2cccc(C)c2)cc1Br.
What is the InChIKey of N-[(3-bromo-4-methoxyphenyl)methylideneamino]-2-(3-methylphenoxy)propanamide?
The InChIKey is DCVPQGUHHJGVID-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19BrN2O3/c1-12-5-4-6-15(9-12)24-13(2)18(22)21-20-11-14-7-8-17(23-3)16(19)10-14/h4-11,13H,1-3H3,(H,21,22).
What are the key properties of N-[(3-bromo-4-methoxyphenyl)methylideneamino]-2-(3-methylphenoxy)propanamide?
N-[(3-bromo-4-methoxyphenyl)methylideneamino]-2-(3-methylphenoxy)propanamide has a molecular weight of 391.27 g/mol, XLogP of 3.68, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-bromo-4-methoxyphenyl)methylideneamino]-2-(3-methylphenoxy)propanamide is sourced from PubChem (CID 19170462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).