N'-[(Z)-[2-[(4-methylphenyl)methoxy]phenyl]methylideneamino]-N-[(1S)-1-phenylethyl]oxamide

C25H25N3O3 — CID 8902115

IUPACN'-[(Z)-[2-[(4-methylphenyl)methoxy]phenyl]methylideneamino]-N-[(1S)-1-phenylethyl]oxamide
SMILESCc1ccc(COc2ccccc2/C=N\NC(=O)C(=O)N[C@@H](C)c2ccccc2)cc1
InChIInChI=1S/C25H25N3O3/c1-18-12-14-20(15-13-18)17-31-23-11-7-6-10-22(23)16-26-28-25(30)24(29)27-19(2)21-8-4-3-5-9-21/h3-16,19H,17H2,1-2H3,(H,27,29)(H,28,30)/b26-16-/t19-/m0/s1
InChIKeyFVDNVKZCBHPGTC-HPUZFYODSA-N
MW415.49 g/mol
LogP3.90
Rot. Bonds7

About N'-[(Z)-[2-[(4-methylphenyl)methoxy]phenyl]methylideneamino]-N-[(1S)-1-phenylethyl]oxamide

N'-[(Z)-[2-[(4-methylphenyl)methoxy]phenyl]methylideneamino]-N-[(1S)-1-phenylethyl]oxamide (PubChem CID 8902115) has the molecular formula C25H25N3O3 and a molecular weight of 415.49 g/mol. Its IUPAC name is N'-[(Z)-[2-[(4-methylphenyl)methoxy]phenyl]methylideneamino]-N-[(1S)-1-phenylethyl]oxamide.

Molecular Properties

Compound NameN'-[(Z)-[2-[(4-methylphenyl)methoxy]phenyl]methylideneamino]-N-[(1S)-1-phenylethyl]oxamide
PubChem CID8902115
Molecular FormulaC25H25N3O3
Molecular Weight415.49 g/mol
Exact Mass415.19
IUPAC NameN'-[(Z)-[2-[(4-methylphenyl)methoxy]phenyl]methylideneamino]-N-[(1S)-1-phenylethyl]oxamide
SMILESCc1ccc(COc2ccccc2/C=N\NC(=O)C(=O)N[C@@H](C)c2ccccc2)cc1
InChIInChI=1S/C25H25N3O3/c1-18-12-14-20(15-13-18)17-31-23-11-7-6-10-22(23)16-26-28-25(30)24(29)27-19(2)21-8-4-3-5-9-21/h3-16,19H,17H2,1-2H3,(H,27,29)(H,28,30)/b26-16-/t19-/m0/s1
InChIKeyFVDNVKZCBHPGTC-HPUZFYODSA-N
XLogP3.90
TPSA79.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.49
LogP ≤ 53.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N'-[(Z)-[2-(2-amino-2-oxoethoxy)phenyl]methylideneamino]-N-[(1R)-1-phenylethyl]oxamide
CID 8990162
N'-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-N-[(1S)-1-phenylethyl]oxamide
CID 135827951
N'-[(2-hydroxy-3-methoxyphenyl)methylideneamino]-N-(1-phenylethyl)oxamide
CID 3105356
N'-[(Z)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-N-[(1S)-1-phenylethyl]oxamide
CID 136802239
2-methyl-N-[(E)-(2-phenylmethoxyphenyl)methylideneamino]propanamide
CID 94833652
4-[[2-[(Z)-[[2-(methylamino)-2-oxoacetyl]hydrazinylidene]methyl]phenoxy]methyl]benzoic acid
CID 8989417
2-[(Z)-[[2-oxo-2-[[(1S)-1-phenylethyl]amino]acetyl]hydrazinylidene]methyl]benzoic acid
CID 94847399
N-(4-methylphenyl)-N'-[(2-phenylmethoxyphenyl)methylideneamino]butanediamide
CID 3289635
N'-[(Z)-[2-[(3-fluorophenyl)methoxy]phenyl]methylideneamino]-N-propan-2-yloxamide
CID 8902994
N'-[(Z)-(5-bromo-2-ethoxyphenyl)methylideneamino]-N-[(1R)-1-phenylethyl]oxamide
CID 8931487
N'-[(Z)-(5-bromo-2-ethoxyphenyl)methylideneamino]-N-[(1S)-1-phenylethyl]oxamide
CID 8931482
N'-[(Z)-(5-chloro-2-ethoxyphenyl)methylideneamino]-N-[(1S)-1-phenylethyl]oxamide
CID 8931357

Frequently Asked Questions

What is the IUPAC name of N'-[(Z)-[2-[(4-methylphenyl)methoxy]phenyl]methylideneamino]-N-[(1S)-1-phenylethyl]oxamide?
The IUPAC name of N'-[(Z)-[2-[(4-methylphenyl)methoxy]phenyl]methylideneamino]-N-[(1S)-1-phenylethyl]oxamide (CID 8902115) is N'-[(Z)-[2-[(4-methylphenyl)methoxy]phenyl]methylideneamino]-N-[(1S)-1-phenylethyl]oxamide.
What is the SMILES notation for N'-[(Z)-[2-[(4-methylphenyl)methoxy]phenyl]methylideneamino]-N-[(1S)-1-phenylethyl]oxamide?
The canonical SMILES for N'-[(Z)-[2-[(4-methylphenyl)methoxy]phenyl]methylideneamino]-N-[(1S)-1-phenylethyl]oxamide is Cc1ccc(COc2ccccc2/C=N\NC(=O)C(=O)N[C@@H](C)c2ccccc2)cc1.
What is the InChIKey of N'-[(Z)-[2-[(4-methylphenyl)methoxy]phenyl]methylideneamino]-N-[(1S)-1-phenylethyl]oxamide?
The InChIKey is FVDNVKZCBHPGTC-HPUZFYODSA-N. The full InChI is InChI=1S/C25H25N3O3/c1-18-12-14-20(15-13-18)17-31-23-11-7-6-10-22(23)16-26-28-25(30)24(29)27-19(2)21-8-4-3-5-9-21/h3-16,19H,17H2,1-2H3,(H,27,29)(H,28,30)/b26-16-/t19-/m0/s1.
What are the key properties of N'-[(Z)-[2-[(4-methylphenyl)methoxy]phenyl]methylideneamino]-N-[(1S)-1-phenylethyl]oxamide?
N'-[(Z)-[2-[(4-methylphenyl)methoxy]phenyl]methylideneamino]-N-[(1S)-1-phenylethyl]oxamide has a molecular weight of 415.49 g/mol, XLogP of 3.90, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(Z)-[2-[(4-methylphenyl)methoxy]phenyl]methylideneamino]-N-[(1S)-1-phenylethyl]oxamide is sourced from PubChem (CID 8902115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).