(2R)-N-[(E)-[2-[(3-bromophenyl)methoxy]phenyl]methylideneamino]-2-(2-methylanilino)propanamide

C24H24BrN3O2 — CID 51661266

IUPAC(2R)-N-[(E)-[2-[(3-bromophenyl)methoxy]phenyl]methylideneamino]-2-(2-methylanilino)propanamide
SMILESCc1ccccc1N[C@H](C)C(=O)N/N=C/c1ccccc1OCc1cccc(Br)c1
InChIInChI=1S/C24H24BrN3O2/c1-17-8-3-5-12-22(17)27-18(2)24(29)28-26-15-20-10-4-6-13-23(20)30-16-19-9-7-11-21(25)14-19/h3-15,18,27H,16H2,1-2H3,(H,28,29)/b26-15+/t18-/m1/s1
InChIKeyGLMVTVQTPRBKPQ-GTPWMTBTSA-N
MW466.38 g/mol
LogP5.29
Rot. Bonds8

About (2R)-N-[(E)-[2-[(3-bromophenyl)methoxy]phenyl]methylideneamino]-2-(2-methylanilino)propanamide

(2R)-N-[(E)-[2-[(3-bromophenyl)methoxy]phenyl]methylideneamino]-2-(2-methylanilino)propanamide (PubChem CID 51661266) has the molecular formula C24H24BrN3O2 and a molecular weight of 466.38 g/mol. Its IUPAC name is (2R)-N-[(E)-[2-[(3-bromophenyl)methoxy]phenyl]methylideneamino]-2-(2-methylanilino)propanamide.

Molecular Properties

Compound Name(2R)-N-[(E)-[2-[(3-bromophenyl)methoxy]phenyl]methylideneamino]-2-(2-methylanilino)propanamide
PubChem CID51661266
Molecular FormulaC24H24BrN3O2
Molecular Weight466.38 g/mol
Exact Mass465.11
IUPAC Name(2R)-N-[(E)-[2-[(3-bromophenyl)methoxy]phenyl]methylideneamino]-2-(2-methylanilino)propanamide
SMILESCc1ccccc1N[C@H](C)C(=O)N/N=C/c1ccccc1OCc1cccc(Br)c1
InChIInChI=1S/C24H24BrN3O2/c1-17-8-3-5-12-22(17)27-18(2)24(29)28-26-15-20-10-4-6-13-23(20)30-16-19-9-7-11-21(25)14-19/h3-15,18,27H,16H2,1-2H3,(H,28,29)/b26-15+/t18-/m1/s1
InChIKeyGLMVTVQTPRBKPQ-GTPWMTBTSA-N
XLogP5.29
TPSA62.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.38
LogP ≤ 55.29
H-Bond Donors ≤ 52
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'}

Analyze (2R)-N-[(E)-[2-[(3-bromophenyl)methoxy]phenyl]methylideneamino]-2-(2-methylanilino)propanamide 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

(2S)-N-[(E)-[2-[(3-bromophenyl)methoxy]phenyl]methylideneamino]-2-(2-methylanilino)propanamide
CID 6874274
(2R)-N-[[2-[(3-bromophenyl)methoxy]phenyl]methylideneamino]-2-(2-methoxyanilino)propanamide
CID 124834516
N-[[2-[(3-bromophenyl)methoxy]phenyl]methylideneamino]-2-(2-methoxyanilino)propanamide
CID 12005344
N-[[2-[(3-bromophenyl)methoxy]phenyl]methylideneamino]-2-(4-chloro-2-methylanilino)propanamide
CID 5226918
(2S)-N-[[2-[(3-bromophenyl)methoxy]phenyl]methylideneamino]-2-(3-methylanilino)propanamide
CID 124834052
2-(2-methoxyanilino)-N-[(2-phenylmethoxyphenyl)methylideneamino]propanamide
CID 71960236
2-(4-bromophenoxy)-N-[[2-[(3-bromophenyl)methoxy]phenyl]methylideneamino]propanamide
CID 3684614
N-[(Z)-[2-[(3-bromophenyl)methoxy]phenyl]methylideneamino]benzamide
CID 6262708
(2S)-N-[(E)-[2-[(4-bromophenyl)methoxy]phenyl]methylideneamino]-2-(4-methoxyanilino)propanamide
CID 6874182
5-bromo-N-[[2-[(3-bromophenyl)methoxy]phenyl]methylideneamino]-2-methoxybenzamide
CID 5213749
2-methyl-N-[(E)-(2-phenylmethoxyphenyl)methylideneamino]propanamide
CID 94833652
2-bromo-N-[1-oxo-1-[2-[(2-phenylmethoxyphenyl)methylidene]hydrazinyl]propan-2-yl]benzamide
CID 3978126

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[(E)-[2-[(3-bromophenyl)methoxy]phenyl]methylideneamino]-2-(2-methylanilino)propanamide?
The IUPAC name of (2R)-N-[(E)-[2-[(3-bromophenyl)methoxy]phenyl]methylideneamino]-2-(2-methylanilino)propanamide (CID 51661266) is (2R)-N-[(E)-[2-[(3-bromophenyl)methoxy]phenyl]methylideneamino]-2-(2-methylanilino)propanamide.
What is the SMILES notation for (2R)-N-[(E)-[2-[(3-bromophenyl)methoxy]phenyl]methylideneamino]-2-(2-methylanilino)propanamide?
The canonical SMILES for (2R)-N-[(E)-[2-[(3-bromophenyl)methoxy]phenyl]methylideneamino]-2-(2-methylanilino)propanamide is Cc1ccccc1N[C@H](C)C(=O)N/N=C/c1ccccc1OCc1cccc(Br)c1.
What is the InChIKey of (2R)-N-[(E)-[2-[(3-bromophenyl)methoxy]phenyl]methylideneamino]-2-(2-methylanilino)propanamide?
The InChIKey is GLMVTVQTPRBKPQ-GTPWMTBTSA-N. The full InChI is InChI=1S/C24H24BrN3O2/c1-17-8-3-5-12-22(17)27-18(2)24(29)28-26-15-20-10-4-6-13-23(20)30-16-19-9-7-11-21(25)14-19/h3-15,18,27H,16H2,1-2H3,(H,28,29)/b26-15+/t18-/m1/s1.
What are the key properties of (2R)-N-[(E)-[2-[(3-bromophenyl)methoxy]phenyl]methylideneamino]-2-(2-methylanilino)propanamide?
(2R)-N-[(E)-[2-[(3-bromophenyl)methoxy]phenyl]methylideneamino]-2-(2-methylanilino)propanamide has a molecular weight of 466.38 g/mol, XLogP of 5.29, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[(E)-[2-[(3-bromophenyl)methoxy]phenyl]methylideneamino]-2-(2-methylanilino)propanamide is sourced from PubChem (CID 51661266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).