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

C20H25N3O2 — CID 4927568

IUPACN-[1-(3-aminophenyl)ethylideneamino]-4-(3-methylbutoxy)benzamide
SMILESCC(=NNC(=O)c1ccc(OCCC(C)C)cc1)c1cccc(N)c1
InChIInChI=1S/C20H25N3O2/c1-14(2)11-12-25-19-9-7-16(8-10-19)20(24)23-22-15(3)17-5-4-6-18(21)13-17/h4-10,13-14H,11-12,21H2,1-3H3,(H,23,24)
InChIKeyLYADOUHQDXZKRJ-UHFFFAOYSA-N
MW339.44 g/mol
LogP3.85
Rot. Bonds7

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

N-[1-(3-aminophenyl)ethylideneamino]-4-(3-methylbutoxy)benzamide (PubChem CID 4927568) has the molecular formula C20H25N3O2 and a molecular weight of 339.44 g/mol. Its IUPAC name is N-[1-(3-aminophenyl)ethylideneamino]-4-(3-methylbutoxy)benzamide.

Molecular Properties

Compound NameN-[1-(3-aminophenyl)ethylideneamino]-4-(3-methylbutoxy)benzamide
PubChem CID4927568
Molecular FormulaC20H25N3O2
Molecular Weight339.44 g/mol
Exact Mass339.19
IUPAC NameN-[1-(3-aminophenyl)ethylideneamino]-4-(3-methylbutoxy)benzamide
SMILESCC(=NNC(=O)c1ccc(OCCC(C)C)cc1)c1cccc(N)c1
InChIInChI=1S/C20H25N3O2/c1-14(2)11-12-25-19-9-7-16(8-10-19)20(24)23-22-15(3)17-5-4-6-18(21)13-17/h4-10,13-14H,11-12,21H2,1-3H3,(H,23,24)
InChIKeyLYADOUHQDXZKRJ-UHFFFAOYSA-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': '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-[(E)-1-(4-aminophenyl)ethylideneamino]-4-(3-methylbutoxy)benzamide
CID 6233039
N-[(Z)-1-(3-aminophenyl)ethylideneamino]-4-chlorobenzamide
CID 5416580
4-(3-methylbutoxy)-N-(1-phenylpropylideneamino)benzamide
CID 4927529
N-[(Z)-1-(5-amino-3-methyl-1,2-thiazol-4-yl)ethylideneamino]-4-(3-methylbutoxy)benzamide
CID 9394261
N-[(E)-1-(3-aminophenyl)ethylideneamino]-4-(dimethylamino)benzamide
CID 5336340
4-(2-methylpropoxy)-N-(1-phenylethylideneamino)benzamide
CID 4929975
propyl 4-[2-[2-[1-(3-aminophenyl)ethylidene]hydrazinyl]-2-oxoethoxy]benzoate
CID 4927512
N-[(Z)-1-(3-aminophenyl)ethylideneamino]-3-iodobenzamide
CID 5376677
N-[(Z)-1-(4-aminophenyl)ethylideneamino]-4-ethoxybenzamide
CID 6375501
N,N'-bis[(E)-1-(3-aminophenyl)ethylideneamino]oxamide
CID 19685958
N-[1-(4-ethoxyphenyl)ethylideneamino]benzamide
CID 912000
2-[3-[(Z)-C-methyl-N-[(4-propan-2-yloxybenzoyl)amino]carbonimidoyl]phenoxy]acetic acid
CID 9215286

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-aminophenyl)ethylideneamino]-4-(3-methylbutoxy)benzamide?
The IUPAC name of N-[1-(3-aminophenyl)ethylideneamino]-4-(3-methylbutoxy)benzamide (CID 4927568) is N-[1-(3-aminophenyl)ethylideneamino]-4-(3-methylbutoxy)benzamide.
What is the SMILES notation for N-[1-(3-aminophenyl)ethylideneamino]-4-(3-methylbutoxy)benzamide?
The canonical SMILES for N-[1-(3-aminophenyl)ethylideneamino]-4-(3-methylbutoxy)benzamide is CC(=NNC(=O)c1ccc(OCCC(C)C)cc1)c1cccc(N)c1.
What is the InChIKey of N-[1-(3-aminophenyl)ethylideneamino]-4-(3-methylbutoxy)benzamide?
The InChIKey is LYADOUHQDXZKRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O2/c1-14(2)11-12-25-19-9-7-16(8-10-19)20(24)23-22-15(3)17-5-4-6-18(21)13-17/h4-10,13-14H,11-12,21H2,1-3H3,(H,23,24).
What are the key properties of N-[1-(3-aminophenyl)ethylideneamino]-4-(3-methylbutoxy)benzamide?
N-[1-(3-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-[1-(3-aminophenyl)ethylideneamino]-4-(3-methylbutoxy)benzamide is sourced from PubChem (CID 4927568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).