N'-[(Z)-[3-[(4-methylphenyl)methoxy]phenyl]methylideneamino]-N-(2-methylpropyl)oxamide

C21H25N3O3 — CID 8902517

IUPACN'-[(Z)-[3-[(4-methylphenyl)methoxy]phenyl]methylideneamino]-N-(2-methylpropyl)oxamide
SMILESCc1ccc(COc2cccc(/C=N\NC(=O)C(=O)NCC(C)C)c2)cc1
InChIInChI=1S/C21H25N3O3/c1-15(2)12-22-20(25)21(26)24-23-13-18-5-4-6-19(11-18)27-14-17-9-7-16(3)8-10-17/h4-11,13,15H,12,14H2,1-3H3,(H,22,25)(H,24,26)/b23-13-
InChIKeyDXCVUWZYTXVYSD-QRVIBDJDSA-N
MW367.45 g/mol
LogP2.80
Rot. Bonds7

About N'-[(Z)-[3-[(4-methylphenyl)methoxy]phenyl]methylideneamino]-N-(2-methylpropyl)oxamide

N'-[(Z)-[3-[(4-methylphenyl)methoxy]phenyl]methylideneamino]-N-(2-methylpropyl)oxamide (PubChem CID 8902517) has the molecular formula C21H25N3O3 and a molecular weight of 367.45 g/mol. Its IUPAC name is N'-[(Z)-[3-[(4-methylphenyl)methoxy]phenyl]methylideneamino]-N-(2-methylpropyl)oxamide.

Molecular Properties

Compound NameN'-[(Z)-[3-[(4-methylphenyl)methoxy]phenyl]methylideneamino]-N-(2-methylpropyl)oxamide
PubChem CID8902517
Molecular FormulaC21H25N3O3
Molecular Weight367.45 g/mol
Exact Mass367.19
IUPAC NameN'-[(Z)-[3-[(4-methylphenyl)methoxy]phenyl]methylideneamino]-N-(2-methylpropyl)oxamide
SMILESCc1ccc(COc2cccc(/C=N\NC(=O)C(=O)NCC(C)C)c2)cc1
InChIInChI=1S/C21H25N3O3/c1-15(2)12-22-20(25)21(26)24-23-13-18-5-4-6-19(11-18)27-14-17-9-7-16(3)8-10-17/h4-11,13,15H,12,14H2,1-3H3,(H,22,25)(H,24,26)/b23-13-
InChIKeyDXCVUWZYTXVYSD-QRVIBDJDSA-N
XLogP2.80
TPSA79.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 52.80
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

4-[[3-[(Z)-[[2-(2-methylpropylamino)-2-oxoacetyl]hydrazinylidene]methyl]phenoxy]methyl]benzoate
CID 8989510
N'-[(Z)-[3-[(3-chlorophenyl)methoxy]phenyl]methylideneamino]-N-(2-methylpropyl)oxamide
CID 8930307
N'-[(Z)-[3-(2-amino-2-oxoethoxy)phenyl]methylideneamino]-N-(2-methylpropyl)oxamide
CID 8990322
N-(2,6-dimethylphenyl)-N'-[[3-[(4-methylphenyl)methoxy]phenyl]methylideneamino]oxamide
CID 5082451
N-(4-methylphenyl)-N'-[(3-phenylmethoxyphenyl)methylideneamino]oxamide
CID 3704074
N'-[[3-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-N-(4-methylphenyl)oxamide
CID 3715481
[[3-[(4-methylphenyl)methoxy]phenyl]methylideneamino]thiourea
CID 900233
3-hydroxy-N-[(E)-[3-[(4-methylphenyl)methoxy]phenyl]methylideneamino]benzamide
CID 17126659
N'-[[3-[(4-methylphenyl)methoxy]phenyl]methylideneamino]-N-[3-(trifluoromethyl)phenyl]oxamide
CID 5221188
N'-[(Z)-[3-[2-(3-chloro-2-methylanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-(2-methylpropyl)oxamide
CID 126158252
N-[[3-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-4-methylbenzamide
CID 4081735
N'-[(E)-[3-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-N-(2,4-dimethylphenyl)oxamide
CID 19659884

Frequently Asked Questions

What is the IUPAC name of N'-[(Z)-[3-[(4-methylphenyl)methoxy]phenyl]methylideneamino]-N-(2-methylpropyl)oxamide?
The IUPAC name of N'-[(Z)-[3-[(4-methylphenyl)methoxy]phenyl]methylideneamino]-N-(2-methylpropyl)oxamide (CID 8902517) is N'-[(Z)-[3-[(4-methylphenyl)methoxy]phenyl]methylideneamino]-N-(2-methylpropyl)oxamide.
What is the SMILES notation for N'-[(Z)-[3-[(4-methylphenyl)methoxy]phenyl]methylideneamino]-N-(2-methylpropyl)oxamide?
The canonical SMILES for N'-[(Z)-[3-[(4-methylphenyl)methoxy]phenyl]methylideneamino]-N-(2-methylpropyl)oxamide is Cc1ccc(COc2cccc(/C=N\NC(=O)C(=O)NCC(C)C)c2)cc1.
What is the InChIKey of N'-[(Z)-[3-[(4-methylphenyl)methoxy]phenyl]methylideneamino]-N-(2-methylpropyl)oxamide?
The InChIKey is DXCVUWZYTXVYSD-QRVIBDJDSA-N. The full InChI is InChI=1S/C21H25N3O3/c1-15(2)12-22-20(25)21(26)24-23-13-18-5-4-6-19(11-18)27-14-17-9-7-16(3)8-10-17/h4-11,13,15H,12,14H2,1-3H3,(H,22,25)(H,24,26)/b23-13-.
What are the key properties of N'-[(Z)-[3-[(4-methylphenyl)methoxy]phenyl]methylideneamino]-N-(2-methylpropyl)oxamide?
N'-[(Z)-[3-[(4-methylphenyl)methoxy]phenyl]methylideneamino]-N-(2-methylpropyl)oxamide has a molecular weight of 367.45 g/mol, XLogP of 2.80, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(Z)-[3-[(4-methylphenyl)methoxy]phenyl]methylideneamino]-N-(2-methylpropyl)oxamide is sourced from PubChem (CID 8902517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).