N-[(E)-(4-cyanophenyl)methylideneamino]-4-(4-methoxy-2-methylphenyl)butanamide

C20H21N3O2 — CID 90481763

IUPACN-[(E)-(4-cyanophenyl)methylideneamino]-4-(4-methoxy-2-methylphenyl)butanamide
SMILESCOc1ccc(CCCC(=O)N/N=C/c2ccc(C#N)cc2)c(C)c1
InChIInChI=1S/C20H21N3O2/c1-15-12-19(25-2)11-10-18(15)4-3-5-20(24)23-22-14-17-8-6-16(13-21)7-9-17/h6-12,14H,3-5H2,1-2H3,(H,23,24)/b22-14+
InChIKeyVGBDAMZISBBOQN-HYARGMPZSA-N
MW335.41 g/mol
LogP3.35
Rot. Bonds7

About N-[(E)-(4-cyanophenyl)methylideneamino]-4-(4-methoxy-2-methylphenyl)butanamide

N-[(E)-(4-cyanophenyl)methylideneamino]-4-(4-methoxy-2-methylphenyl)butanamide (PubChem CID 90481763) has the molecular formula C20H21N3O2 and a molecular weight of 335.41 g/mol. Its IUPAC name is N-[(E)-(4-cyanophenyl)methylideneamino]-4-(4-methoxy-2-methylphenyl)butanamide.

Molecular Properties

Compound NameN-[(E)-(4-cyanophenyl)methylideneamino]-4-(4-methoxy-2-methylphenyl)butanamide
PubChem CID90481763
Molecular FormulaC20H21N3O2
Molecular Weight335.41 g/mol
Exact Mass335.16
IUPAC NameN-[(E)-(4-cyanophenyl)methylideneamino]-4-(4-methoxy-2-methylphenyl)butanamide
SMILESCOc1ccc(CCCC(=O)N/N=C/c2ccc(C#N)cc2)c(C)c1
InChIInChI=1S/C20H21N3O2/c1-15-12-19(25-2)11-10-18(15)4-3-5-20(24)23-22-14-17-8-6-16(13-21)7-9-17/h6-12,14H,3-5H2,1-2H3,(H,23,24)/b22-14+
InChIKeyVGBDAMZISBBOQN-HYARGMPZSA-N
XLogP3.35
TPSA74.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 53.35
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

4-(4-methoxy-2-methylphenyl)-N-[(Z)-(4-methylphenyl)methylideneamino]butanamide
CID 5394009
N,N'-bis[(E)-(4-methoxyphenyl)methylideneamino]pentanediamide
CID 6861549
N,N'-bis[(E)-(4-methoxyphenyl)methylideneamino]butanediamide
CID 6869271
[4-[[4-(4-methoxy-3-methylphenyl)butanoylhydrazinylidene]methyl]phenyl] acetate
CID 987935
4-(4-methoxyanilino)-N-[(4-methoxyphenyl)methylideneamino]butanamide
CID 3489457
N-[(Z)-(4-cyanophenyl)methylideneamino]-3-[3-[(2Z)-2-[(4-cyanophenyl)methylidene]hydrazinyl]-3-oxopropyl]sulfanylpropanamide
CID 6044882
N-[(Z)-(4-cyanophenyl)methylideneamino]-2-(4-iodophenoxy)acetamide
CID 7326687
methyl N-[(4-cyanophenyl)methylideneamino]carbamate
CID 833047
N-[(4-methoxyphenyl)methylideneamino]-5-(4-methylphenyl)-5-oxopentanamide
CID 171817090
N-[(4-methoxyphenyl)methylideneamino]nonanamide
CID 4175341
N-[(E)-(4-methoxyphenyl)methylideneamino]-N'-[(Z)-(4-methoxyphenyl)methylideneamino]propanediamide
CID 44726282
1-(4-cyanophenyl)-3-[(4-methoxyphenyl)methylideneamino]thiourea
CID 138376439

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(4-cyanophenyl)methylideneamino]-4-(4-methoxy-2-methylphenyl)butanamide?
The IUPAC name of N-[(E)-(4-cyanophenyl)methylideneamino]-4-(4-methoxy-2-methylphenyl)butanamide (CID 90481763) is N-[(E)-(4-cyanophenyl)methylideneamino]-4-(4-methoxy-2-methylphenyl)butanamide.
What is the SMILES notation for N-[(E)-(4-cyanophenyl)methylideneamino]-4-(4-methoxy-2-methylphenyl)butanamide?
The canonical SMILES for N-[(E)-(4-cyanophenyl)methylideneamino]-4-(4-methoxy-2-methylphenyl)butanamide is COc1ccc(CCCC(=O)N/N=C/c2ccc(C#N)cc2)c(C)c1.
What is the InChIKey of N-[(E)-(4-cyanophenyl)methylideneamino]-4-(4-methoxy-2-methylphenyl)butanamide?
The InChIKey is VGBDAMZISBBOQN-HYARGMPZSA-N. The full InChI is InChI=1S/C20H21N3O2/c1-15-12-19(25-2)11-10-18(15)4-3-5-20(24)23-22-14-17-8-6-16(13-21)7-9-17/h6-12,14H,3-5H2,1-2H3,(H,23,24)/b22-14+.
What are the key properties of N-[(E)-(4-cyanophenyl)methylideneamino]-4-(4-methoxy-2-methylphenyl)butanamide?
N-[(E)-(4-cyanophenyl)methylideneamino]-4-(4-methoxy-2-methylphenyl)butanamide has a molecular weight of 335.41 g/mol, XLogP of 3.35, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(4-cyanophenyl)methylideneamino]-4-(4-methoxy-2-methylphenyl)butanamide is sourced from PubChem (CID 90481763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).