N-[(E)-[4-(diethylamino)phenyl]methylideneamino]-2-(2,5-dimethylphenyl)acetamide

C21H27N3O — CID 126370340

IUPACN-[(E)-[4-(diethylamino)phenyl]methylideneamino]-2-(2,5-dimethylphenyl)acetamide
SMILESCCN(CC)c1ccc(/C=N/NC(=O)Cc2cc(C)ccc2C)cc1
InChIInChI=1S/C21H27N3O/c1-5-24(6-2)20-11-9-18(10-12-20)15-22-23-21(25)14-19-13-16(3)7-8-17(19)4/h7-13,15H,5-6,14H2,1-4H3,(H,23,25)/b22-15+
InChIKeyRCWYDDFQIDMEBT-PXLXIMEGSA-N
MW337.47 g/mol
LogP3.84
Rot. Bonds7

About N-[(E)-[4-(diethylamino)phenyl]methylideneamino]-2-(2,5-dimethylphenyl)acetamide

N-[(E)-[4-(diethylamino)phenyl]methylideneamino]-2-(2,5-dimethylphenyl)acetamide (PubChem CID 126370340) has the molecular formula C21H27N3O and a molecular weight of 337.47 g/mol. Its IUPAC name is N-[(E)-[4-(diethylamino)phenyl]methylideneamino]-2-(2,5-dimethylphenyl)acetamide.

Molecular Properties

Compound NameN-[(E)-[4-(diethylamino)phenyl]methylideneamino]-2-(2,5-dimethylphenyl)acetamide
PubChem CID126370340
Molecular FormulaC21H27N3O
Molecular Weight337.47 g/mol
Exact Mass337.22
IUPAC NameN-[(E)-[4-(diethylamino)phenyl]methylideneamino]-2-(2,5-dimethylphenyl)acetamide
SMILESCCN(CC)c1ccc(/C=N/NC(=O)Cc2cc(C)ccc2C)cc1
InChIInChI=1S/C21H27N3O/c1-5-24(6-2)20-11-9-18(10-12-20)15-22-23-21(25)14-19-13-16(3)7-8-17(19)4/h7-13,15H,5-6,14H2,1-4H3,(H,23,25)/b22-15+
InChIKeyRCWYDDFQIDMEBT-PXLXIMEGSA-N
XLogP3.84
TPSA44.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.47
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-[(Z)-[4-(diethylamino)phenyl]methylideneamino]-2-phenylacetamide
CID 5404499
1,3-bis[(E)-[4-(diethylamino)phenyl]methylideneamino]urea
CID 5335044
2-(2,5-dimethylphenyl)-N-[(Z)-(3-hydroxyphenyl)methylideneamino]acetamide
CID 126364736
N-[[4-(diethylamino)phenyl]methylideneamino]-2-(4-methoxyphenyl)acetamide
CID 968719
N-[(Z)-[4-(diethylamino)phenyl]methylideneamino]-2-(4-methoxyphenyl)acetamide
CID 5428293
N-[[4-(diethylamino)phenyl]methylideneamino]octanamide
CID 3333467
[2-[(2E)-2-[[4-(diethylamino)phenyl]methylidene]hydrazinyl]-2-oxoethyl]-trimethylazanium chloride
CID 54599008
1,3-bis[[4-(diethylamino)phenyl]methylideneamino]thiourea
CID 5125504
N-[(Z)-[4-[benzyl(ethyl)amino]phenyl]methylideneamino]-2-phenylacetamide
CID 110515251
ethyl N-[(E)-[4-(diethylamino)phenyl]methylideneamino]carbamate
CID 6861626
N-[(Z)-[4-(diethylamino)phenyl]methylideneamino]-2-(2-methylanilino)acetamide
CID 5414254
N-[(E)-benzylideneamino]-2-(2,4-dimethylphenyl)acetamide
CID 133143773

Frequently Asked Questions

What is the IUPAC name of N-[(E)-[4-(diethylamino)phenyl]methylideneamino]-2-(2,5-dimethylphenyl)acetamide?
The IUPAC name of N-[(E)-[4-(diethylamino)phenyl]methylideneamino]-2-(2,5-dimethylphenyl)acetamide (CID 126370340) is N-[(E)-[4-(diethylamino)phenyl]methylideneamino]-2-(2,5-dimethylphenyl)acetamide.
What is the SMILES notation for N-[(E)-[4-(diethylamino)phenyl]methylideneamino]-2-(2,5-dimethylphenyl)acetamide?
The canonical SMILES for N-[(E)-[4-(diethylamino)phenyl]methylideneamino]-2-(2,5-dimethylphenyl)acetamide is CCN(CC)c1ccc(/C=N/NC(=O)Cc2cc(C)ccc2C)cc1.
What is the InChIKey of N-[(E)-[4-(diethylamino)phenyl]methylideneamino]-2-(2,5-dimethylphenyl)acetamide?
The InChIKey is RCWYDDFQIDMEBT-PXLXIMEGSA-N. The full InChI is InChI=1S/C21H27N3O/c1-5-24(6-2)20-11-9-18(10-12-20)15-22-23-21(25)14-19-13-16(3)7-8-17(19)4/h7-13,15H,5-6,14H2,1-4H3,(H,23,25)/b22-15+.
What are the key properties of N-[(E)-[4-(diethylamino)phenyl]methylideneamino]-2-(2,5-dimethylphenyl)acetamide?
N-[(E)-[4-(diethylamino)phenyl]methylideneamino]-2-(2,5-dimethylphenyl)acetamide has a molecular weight of 337.47 g/mol, XLogP of 3.84, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-[4-(diethylamino)phenyl]methylideneamino]-2-(2,5-dimethylphenyl)acetamide is sourced from PubChem (CID 126370340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).