N-[(E)-1-(4-aminophenyl)ethylideneamino]-4-(3-methylbutoxy)benzamide

C20H25N3O2 — CID 6233039

IUPACN-[(E)-1-(4-aminophenyl)ethylideneamino]-4-(3-methylbutoxy)benzamide
SMILESC/C(=N\NC(=O)c1ccc(OCCC(C)C)cc1)c1ccc(N)cc1
InChIInChI=1S/C20H25N3O2/c1-14(2)12-13-25-19-10-6-17(7-11-19)20(24)23-22-15(3)16-4-8-18(21)9-5-16/h4-11,14H,12-13,21H2,1-3H3,(H,23,24)/b22-15+
InChIKeyAUGSMNOLWVSTQI-PXLXIMEGSA-N
MW339.44 g/mol
LogP3.85
Rot. Bonds7

About N-[(E)-1-(4-aminophenyl)ethylideneamino]-4-(3-methylbutoxy)benzamide

N-[(E)-1-(4-aminophenyl)ethylideneamino]-4-(3-methylbutoxy)benzamide (PubChem CID 6233039) has the molecular formula C20H25N3O2 and a molecular weight of 339.44 g/mol. Its IUPAC name is N-[(E)-1-(4-aminophenyl)ethylideneamino]-4-(3-methylbutoxy)benzamide.

Molecular Properties

Compound NameN-[(E)-1-(4-aminophenyl)ethylideneamino]-4-(3-methylbutoxy)benzamide
PubChem CID6233039
Molecular FormulaC20H25N3O2
Molecular Weight339.44 g/mol
Exact Mass339.19
IUPAC NameN-[(E)-1-(4-aminophenyl)ethylideneamino]-4-(3-methylbutoxy)benzamide
SMILESC/C(=N\NC(=O)c1ccc(OCCC(C)C)cc1)c1ccc(N)cc1
InChIInChI=1S/C20H25N3O2/c1-14(2)12-13-25-19-10-6-17(7-11-19)20(24)23-22-15(3)16-4-8-18(21)9-5-16/h4-11,14H,12-13,21H2,1-3H3,(H,23,24)/b22-15+
InChIKeyAUGSMNOLWVSTQI-PXLXIMEGSA-N
XLogP3.85
TPSA76.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_anil(14)', 'substructure': 'N/A'}, {'alert_name': 'aniline', '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

N-[1-(3-aminophenyl)ethylideneamino]-4-(3-methylbutoxy)benzamide
CID 4927568
N-[(Z)-1-(4-aminophenyl)ethylideneamino]-4-ethoxybenzamide
CID 6375501
N-[1-(4-aminophenyl)ethylideneamino]-4-prop-2-enoxybenzamide
CID 4925774
1-N,4-N-bis[1-(4-aminophenyl)ethylideneamino]benzene-1,4-dicarboxamide
CID 4998105
N-[(Z)-1-(5-amino-3-methyl-1,2-thiazol-4-yl)ethylideneamino]-4-(3-methylbutoxy)benzamide
CID 9394261
4-amino-N-[(Z)-1-[4-[2-(diethylamino)-2-oxoethoxy]phenyl]ethylideneamino]benzamide
CID 7955371
4-(2-methylpropoxy)-N-(1-phenylethylideneamino)benzamide
CID 4929975
4-(3-methylbutoxy)-N-(1-phenylpropylideneamino)benzamide
CID 4927529
N-[1-(4-chlorophenyl)ethylideneamino]-4-(2-methylpropoxy)benzamide
CID 4930013
N-[1-(4-bromophenyl)ethylideneamino]-4-(2-methylpropoxy)benzamide
CID 4929974
N-[(Z)-1-(4-aminophenyl)ethylideneamino]-4-methylbenzamide
CID 6041987
N-[(E)-1-(4-chlorophenyl)ethylideneamino]-4-propoxybenzamide
CID 133169613

Frequently Asked Questions

What is the IUPAC name of N-[(E)-1-(4-aminophenyl)ethylideneamino]-4-(3-methylbutoxy)benzamide?
The IUPAC name of N-[(E)-1-(4-aminophenyl)ethylideneamino]-4-(3-methylbutoxy)benzamide (CID 6233039) is N-[(E)-1-(4-aminophenyl)ethylideneamino]-4-(3-methylbutoxy)benzamide.
What is the SMILES notation for N-[(E)-1-(4-aminophenyl)ethylideneamino]-4-(3-methylbutoxy)benzamide?
The canonical SMILES for N-[(E)-1-(4-aminophenyl)ethylideneamino]-4-(3-methylbutoxy)benzamide is C/C(=N\NC(=O)c1ccc(OCCC(C)C)cc1)c1ccc(N)cc1.
What is the InChIKey of N-[(E)-1-(4-aminophenyl)ethylideneamino]-4-(3-methylbutoxy)benzamide?
The InChIKey is AUGSMNOLWVSTQI-PXLXIMEGSA-N. The full InChI is InChI=1S/C20H25N3O2/c1-14(2)12-13-25-19-10-6-17(7-11-19)20(24)23-22-15(3)16-4-8-18(21)9-5-16/h4-11,14H,12-13,21H2,1-3H3,(H,23,24)/b22-15+.
What are the key properties of N-[(E)-1-(4-aminophenyl)ethylideneamino]-4-(3-methylbutoxy)benzamide?
N-[(E)-1-(4-aminophenyl)ethylideneamino]-4-(3-methylbutoxy)benzamide has a molecular weight of 339.44 g/mol, XLogP of 3.85, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-1-(4-aminophenyl)ethylideneamino]-4-(3-methylbutoxy)benzamide is sourced from PubChem (CID 6233039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).