N-[(E)-1-(4-aminophenyl)ethylideneamino]-2-(4-butan-2-ylphenoxy)acetamide

C20H25N3O2 — CID 6231630

IUPACN-[(E)-1-(4-aminophenyl)ethylideneamino]-2-(4-butan-2-ylphenoxy)acetamide
SMILESCCC(C)c1ccc(OCC(=O)N/N=C(\C)c2ccc(N)cc2)cc1
InChIInChI=1S/C20H25N3O2/c1-4-14(2)16-7-11-19(12-8-16)25-13-20(24)23-22-15(3)17-5-9-18(21)10-6-17/h5-12,14H,4,13,21H2,1-3H3,(H,23,24)/b22-15+
InChIKeyDWYPNAFLDSJALR-PXLXIMEGSA-N
MW339.44 g/mol
LogP3.70
Rot. Bonds7

About N-[(E)-1-(4-aminophenyl)ethylideneamino]-2-(4-butan-2-ylphenoxy)acetamide

N-[(E)-1-(4-aminophenyl)ethylideneamino]-2-(4-butan-2-ylphenoxy)acetamide (PubChem CID 6231630) has the molecular formula C20H25N3O2 and a molecular weight of 339.44 g/mol. Its IUPAC name is N-[(E)-1-(4-aminophenyl)ethylideneamino]-2-(4-butan-2-ylphenoxy)acetamide.

Molecular Properties

Compound NameN-[(E)-1-(4-aminophenyl)ethylideneamino]-2-(4-butan-2-ylphenoxy)acetamide
PubChem CID6231630
Molecular FormulaC20H25N3O2
Molecular Weight339.44 g/mol
Exact Mass339.19
IUPAC NameN-[(E)-1-(4-aminophenyl)ethylideneamino]-2-(4-butan-2-ylphenoxy)acetamide
SMILESCCC(C)c1ccc(OCC(=O)N/N=C(\C)c2ccc(N)cc2)cc1
InChIInChI=1S/C20H25N3O2/c1-4-14(2)16-7-11-19(12-8-16)25-13-20(24)23-22-15(3)17-5-9-18(21)10-6-17/h5-12,14H,4,13,21H2,1-3H3,(H,23,24)/b22-15+
InChIKeyDWYPNAFLDSJALR-PXLXIMEGSA-N
XLogP3.70
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 ≤ 53.70
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-(4-aminophenyl)ethylideneamino]-2-(4-bromophenoxy)acetamide
CID 3466804
N-[1-(4-aminophenyl)ethylideneamino]-2-(4-nitrophenoxy)acetamide
CID 909337
2-(4-butan-2-ylphenoxy)-N-[(E)-1-phenylpropylideneamino]acetamide
CID 6389989
2-(4-butan-2-ylphenoxy)-N-[(2-methyl-1-phenylpropylidene)amino]acetamide
CID 4982206
2-(4-butan-2-ylphenoxy)-N-[(E)-heptan-3-ylideneamino]acetamide
CID 54785064
N-[(Z)-1-(4-aminophenyl)ethylideneamino]-4-ethoxybenzamide
CID 6375501
2-phenoxy-N-(1-phenylethylideneamino)acetamide
CID 3448907
N-[1-(4-hydroxyphenyl)ethylideneamino]-2-(4-methoxyphenoxy)acetamide
CID 914096
N-[(E)-1-(4-aminophenyl)ethylideneamino]-2-(2-methylphenoxy)acetamide
CID 5428196
1-(4-butan-2-ylphenoxy)propan-2-one
CID 59101826
4-amino-N-[(Z)-1-[4-[2-(diethylamino)-2-oxoethoxy]phenyl]ethylideneamino]benzamide
CID 7955371
2-(4-bromophenoxy)-N-[1-(4-methoxyphenyl)ethylideneamino]acetamide
CID 3466806

Frequently Asked Questions

What is the IUPAC name of N-[(E)-1-(4-aminophenyl)ethylideneamino]-2-(4-butan-2-ylphenoxy)acetamide?
The IUPAC name of N-[(E)-1-(4-aminophenyl)ethylideneamino]-2-(4-butan-2-ylphenoxy)acetamide (CID 6231630) is N-[(E)-1-(4-aminophenyl)ethylideneamino]-2-(4-butan-2-ylphenoxy)acetamide.
What is the SMILES notation for N-[(E)-1-(4-aminophenyl)ethylideneamino]-2-(4-butan-2-ylphenoxy)acetamide?
The canonical SMILES for N-[(E)-1-(4-aminophenyl)ethylideneamino]-2-(4-butan-2-ylphenoxy)acetamide is CCC(C)c1ccc(OCC(=O)N/N=C(\C)c2ccc(N)cc2)cc1.
What is the InChIKey of N-[(E)-1-(4-aminophenyl)ethylideneamino]-2-(4-butan-2-ylphenoxy)acetamide?
The InChIKey is DWYPNAFLDSJALR-PXLXIMEGSA-N. The full InChI is InChI=1S/C20H25N3O2/c1-4-14(2)16-7-11-19(12-8-16)25-13-20(24)23-22-15(3)17-5-9-18(21)10-6-17/h5-12,14H,4,13,21H2,1-3H3,(H,23,24)/b22-15+.
What are the key properties of N-[(E)-1-(4-aminophenyl)ethylideneamino]-2-(4-butan-2-ylphenoxy)acetamide?
N-[(E)-1-(4-aminophenyl)ethylideneamino]-2-(4-butan-2-ylphenoxy)acetamide has a molecular weight of 339.44 g/mol, XLogP of 3.70, 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]-2-(4-butan-2-ylphenoxy)acetamide is sourced from PubChem (CID 6231630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).