4-(diethylamino)-N-[(Z)-(3-methyl-1-phenylbutylidene)amino]benzamide

C22H29N3O — CID 7929117

IUPAC4-(diethylamino)-N-[(Z)-(3-methyl-1-phenylbutylidene)amino]benzamide
SMILESCCN(CC)c1ccc(C(=O)N/N=C(/CC(C)C)c2ccccc2)cc1
InChIInChI=1S/C22H29N3O/c1-5-25(6-2)20-14-12-19(13-15-20)22(26)24-23-21(16-17(3)4)18-10-8-7-9-11-18/h7-15,17H,5-6,16H2,1-4H3,(H,24,26)/b23-21-
InChIKeyUBJQWQUQGSMJEG-LNVKXUELSA-N
MW351.49 g/mol
LogP4.71
Rot. Bonds8

About 4-(diethylamino)-N-[(Z)-(3-methyl-1-phenylbutylidene)amino]benzamide

4-(diethylamino)-N-[(Z)-(3-methyl-1-phenylbutylidene)amino]benzamide (PubChem CID 7929117) has the molecular formula C22H29N3O and a molecular weight of 351.49 g/mol. Its IUPAC name is 4-(diethylamino)-N-[(Z)-(3-methyl-1-phenylbutylidene)amino]benzamide.

Molecular Properties

Compound Name4-(diethylamino)-N-[(Z)-(3-methyl-1-phenylbutylidene)amino]benzamide
PubChem CID7929117
Molecular FormulaC22H29N3O
Molecular Weight351.49 g/mol
Exact Mass351.23
IUPAC Name4-(diethylamino)-N-[(Z)-(3-methyl-1-phenylbutylidene)amino]benzamide
SMILESCCN(CC)c1ccc(C(=O)N/N=C(/CC(C)C)c2ccccc2)cc1
InChIInChI=1S/C22H29N3O/c1-5-25(6-2)20-14-12-19(13-15-20)22(26)24-23-21(16-17(3)4)18-10-8-7-9-11-18/h7-15,17H,5-6,16H2,1-4H3,(H,24,26)/b23-21-
InChIKeyUBJQWQUQGSMJEG-LNVKXUELSA-N
XLogP4.71
TPSA44.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.49
LogP ≤ 54.71
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-[(3-methyl-1-phenylbutylidene)amino]-4-phenylbenzamide
CID 4581663
3-methyl-N-[(3-methyl-1-phenylbutylidene)amino]benzamide
CID 5191997
N-[(Z)-4-methylpentan-2-ylideneamino]benzamide
CID 6030985
N-[1-[2-[4-(diethylamino)benzoyl]hydrazinyl]-1-oxopropan-2-yl]benzamide
CID 18280098
4-(diethylamino)-N-[(Z)-1-(3,4-dimethylphenyl)ethylideneamino]benzamide
CID 7929054
4-benzamido-N-[(E)-1-phenylbutylideneamino]benzamide
CID 6367877
4-(dimethylamino)-N-[(2-methyl-1-phenylpropylidene)amino]benzamide
CID 3512909
N-(4-methylphenyl)-N'-[(Z)-(3-methyl-1-phenylbutylidene)amino]oxamide
CID 9179587
4-(2-methylpropoxy)-N-[(E)-1-phenylbutylideneamino]benzamide
CID 6390070
4-(3-methylbutoxy)-N-(1-phenylpropylideneamino)benzamide
CID 4927529
N-[(Z)-(3-methyl-1-phenylbutylidene)amino]-4-oxo-3-propan-2-ylphthalazine-1-carboxamide
CID 9465003
2-[2-[[[4-(diethylamino)benzoyl]hydrazinylidene]methyl]phenoxy]acetic acid
CID 2331809

Frequently Asked Questions

What is the IUPAC name of 4-(diethylamino)-N-[(Z)-(3-methyl-1-phenylbutylidene)amino]benzamide?
The IUPAC name of 4-(diethylamino)-N-[(Z)-(3-methyl-1-phenylbutylidene)amino]benzamide (CID 7929117) is 4-(diethylamino)-N-[(Z)-(3-methyl-1-phenylbutylidene)amino]benzamide.
What is the SMILES notation for 4-(diethylamino)-N-[(Z)-(3-methyl-1-phenylbutylidene)amino]benzamide?
The canonical SMILES for 4-(diethylamino)-N-[(Z)-(3-methyl-1-phenylbutylidene)amino]benzamide is CCN(CC)c1ccc(C(=O)N/N=C(/CC(C)C)c2ccccc2)cc1.
What is the InChIKey of 4-(diethylamino)-N-[(Z)-(3-methyl-1-phenylbutylidene)amino]benzamide?
The InChIKey is UBJQWQUQGSMJEG-LNVKXUELSA-N. The full InChI is InChI=1S/C22H29N3O/c1-5-25(6-2)20-14-12-19(13-15-20)22(26)24-23-21(16-17(3)4)18-10-8-7-9-11-18/h7-15,17H,5-6,16H2,1-4H3,(H,24,26)/b23-21-.
What are the key properties of 4-(diethylamino)-N-[(Z)-(3-methyl-1-phenylbutylidene)amino]benzamide?
4-(diethylamino)-N-[(Z)-(3-methyl-1-phenylbutylidene)amino]benzamide has a molecular weight of 351.49 g/mol, XLogP of 4.71, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(diethylamino)-N-[(Z)-(3-methyl-1-phenylbutylidene)amino]benzamide is sourced from PubChem (CID 7929117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).