4-(diethylamino)-N-[[4-(3-methylbutoxy)phenyl]methylideneamino]benzamide

C23H31N3O2 — CID 2329144

IUPAC4-(diethylamino)-N-[[4-(3-methylbutoxy)phenyl]methylideneamino]benzamide
SMILESCCN(CC)c1ccc(C(=O)NN=Cc2ccc(OCCC(C)C)cc2)cc1
InChIInChI=1S/C23H31N3O2/c1-5-26(6-2)21-11-9-20(10-12-21)23(27)25-24-17-19-7-13-22(14-8-19)28-16-15-18(3)4/h7-14,17-18H,5-6,15-16H2,1-4H3,(H,25,27)
InChIKeyMLMPDIFDOMGFIN-UHFFFAOYSA-N
MW381.52 g/mol
LogP4.72
Rot. Bonds10

About 4-(diethylamino)-N-[[4-(3-methylbutoxy)phenyl]methylideneamino]benzamide

4-(diethylamino)-N-[[4-(3-methylbutoxy)phenyl]methylideneamino]benzamide (PubChem CID 2329144) has the molecular formula C23H31N3O2 and a molecular weight of 381.52 g/mol. Its IUPAC name is 4-(diethylamino)-N-[[4-(3-methylbutoxy)phenyl]methylideneamino]benzamide.

Molecular Properties

Compound Name4-(diethylamino)-N-[[4-(3-methylbutoxy)phenyl]methylideneamino]benzamide
PubChem CID2329144
Molecular FormulaC23H31N3O2
Molecular Weight381.52 g/mol
Exact Mass381.24
IUPAC Name4-(diethylamino)-N-[[4-(3-methylbutoxy)phenyl]methylideneamino]benzamide
SMILESCCN(CC)c1ccc(C(=O)NN=Cc2ccc(OCCC(C)C)cc2)cc1
InChIInChI=1S/C23H31N3O2/c1-5-26(6-2)21-11-9-20(10-12-21)23(27)25-24-17-19-7-13-22(14-8-19)28-16-15-18(3)4/h7-14,17-18H,5-6,15-16H2,1-4H3,(H,25,27)
InChIKeyMLMPDIFDOMGFIN-UHFFFAOYSA-N
XLogP4.72
TPSA53.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.52
LogP ≤ 54.72
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'}

Analyze 4-(diethylamino)-N-[[4-(3-methylbutoxy)phenyl]methylideneamino]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(3-methylbutoxy)-N-[(4-methylphenyl)methylideneamino]benzamide
CID 4927373
N-[(Z)-(4-methoxyphenyl)methylideneamino]-4-(3-methylbutoxy)benzamide
CID 6390033
N-[(4-chlorophenyl)methylideneamino]-4-(3-methylbutoxy)benzamide
CID 4927381
N-[(Z)-[4-(diethylamino)phenyl]methylideneamino]-4-methoxybenzamide
CID 5372104
N-[(Z)-[4-(diethylamino)phenyl]methylideneamino]-4-hydroxybenzamide
CID 5410903
4-N-[(E)-[4-(diethylamino)phenyl]methylideneamino]benzene-1,4-dicarboxamide
CID 164880526
4-propoxy-N-[(E)-(4-propoxyphenyl)methylideneamino]benzamide
CID 133169717
4-bromo-N-[(Z)-[4-(diethylamino)phenyl]methylideneamino]benzamide
CID 5373596
4-chloro-N-[[4-(diethylamino)phenyl]methylideneamino]benzamide
CID 872196
4-(3-methylbutoxy)-N-[(5-methylfuran-2-yl)methylideneamino]benzamide
CID 4927427
4-(3-methylbutoxy)-N-[(3,4,5-trimethoxyphenyl)methylideneamino]benzamide
CID 4927366
N-[(Z)-(3-fluoro-4-methoxyphenyl)methylideneamino]-4-(3-methylbutoxy)benzamide
CID 8979784

Frequently Asked Questions

What is the IUPAC name of 4-(diethylamino)-N-[[4-(3-methylbutoxy)phenyl]methylideneamino]benzamide?
The IUPAC name of 4-(diethylamino)-N-[[4-(3-methylbutoxy)phenyl]methylideneamino]benzamide (CID 2329144) is 4-(diethylamino)-N-[[4-(3-methylbutoxy)phenyl]methylideneamino]benzamide.
What is the SMILES notation for 4-(diethylamino)-N-[[4-(3-methylbutoxy)phenyl]methylideneamino]benzamide?
The canonical SMILES for 4-(diethylamino)-N-[[4-(3-methylbutoxy)phenyl]methylideneamino]benzamide is CCN(CC)c1ccc(C(=O)NN=Cc2ccc(OCCC(C)C)cc2)cc1.
What is the InChIKey of 4-(diethylamino)-N-[[4-(3-methylbutoxy)phenyl]methylideneamino]benzamide?
The InChIKey is MLMPDIFDOMGFIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N3O2/c1-5-26(6-2)21-11-9-20(10-12-21)23(27)25-24-17-19-7-13-22(14-8-19)28-16-15-18(3)4/h7-14,17-18H,5-6,15-16H2,1-4H3,(H,25,27).
What are the key properties of 4-(diethylamino)-N-[[4-(3-methylbutoxy)phenyl]methylideneamino]benzamide?
4-(diethylamino)-N-[[4-(3-methylbutoxy)phenyl]methylideneamino]benzamide has a molecular weight of 381.52 g/mol, XLogP of 4.72, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(diethylamino)-N-[[4-(3-methylbutoxy)phenyl]methylideneamino]benzamide is sourced from PubChem (CID 2329144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).