N-[(E)-benzylideneamino]-2-(4-butoxyphenoxy)acetamide

C19H22N2O3 — CID 5334518

IUPACN-[(E)-benzylideneamino]-2-(4-butoxyphenoxy)acetamide
SMILESCCCCOc1ccc(OCC(=O)N/N=C/c2ccccc2)cc1
InChIInChI=1S/C19H22N2O3/c1-2-3-13-23-17-9-11-18(12-10-17)24-15-19(22)21-20-14-16-7-5-4-6-8-16/h4-12,14H,2-3,13,15H2,1H3,(H,21,22)/b20-14+
InChIKeyHEJMSZQRJHTUPW-XSFVSMFZSA-N
MW326.40 g/mol
LogP3.39
Rot. Bonds9

About N-[(E)-benzylideneamino]-2-(4-butoxyphenoxy)acetamide

N-[(E)-benzylideneamino]-2-(4-butoxyphenoxy)acetamide (PubChem CID 5334518) has the molecular formula C19H22N2O3 and a molecular weight of 326.40 g/mol. Its IUPAC name is N-[(E)-benzylideneamino]-2-(4-butoxyphenoxy)acetamide.

Molecular Properties

Compound NameN-[(E)-benzylideneamino]-2-(4-butoxyphenoxy)acetamide
PubChem CID5334518
Molecular FormulaC19H22N2O3
Molecular Weight326.40 g/mol
Exact Mass326.16
IUPAC NameN-[(E)-benzylideneamino]-2-(4-butoxyphenoxy)acetamide
SMILESCCCCOc1ccc(OCC(=O)N/N=C/c2ccccc2)cc1
InChIInChI=1S/C19H22N2O3/c1-2-3-13-23-17-9-11-18(12-10-17)24-15-19(22)21-20-14-16-7-5-4-6-8-16/h4-12,14H,2-3,13,15H2,1H3,(H,21,22)/b20-14+
InChIKeyHEJMSZQRJHTUPW-XSFVSMFZSA-N
XLogP3.39
TPSA59.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', '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)-benzylideneamino]-2-(4-octoxyphenoxy)acetamide
CID 46501793
N-[(E)-benzylideneamino]-2-(4-butylphenoxy)acetamide
CID 6876624
2-(4-butoxyphenoxy)-N-[(4-hydroxyphenyl)methylideneamino]acetamide
CID 3562472
2-(4-bromophenoxy)-N-[(Z)-(4-butoxyphenyl)methylideneamino]acetamide
CID 6043296
2-(4-chlorophenoxy)-N-[(E)-(4-hexoxyphenyl)methylideneamino]acetamide
CID 19190680
2-(4-ethylphenoxy)-N-[(E)-(4-hexoxyphenyl)methylideneamino]acetamide
CID 19190683
2-[4-(2-phenylpropan-2-yl)phenoxy]-N-[(E)-(4-propoxyphenyl)methylideneamino]acetamide
CID 19189783
[4-[(Z)-[[2-(4-butoxyphenoxy)acetyl]hydrazinylidene]methyl]phenyl] 2-chlorobenzoate
CID 6061820
2-(4-methoxyphenoxy)-N-[(Z)-(4-propoxyphenyl)methylideneamino]acetamide
CID 9315962
2-(3-methylphenoxy)-N-[(4-pentoxyphenyl)methylideneamino]acetamide
CID 4038788
2-phenoxy-N-[(Z)-(4-phenoxyphenyl)methylideneamino]acetamide
CID 92663646
2-(4-cyanophenoxy)-N-[(4-hexoxyphenyl)methylideneamino]acetamide
CID 2431577

Frequently Asked Questions

What is the IUPAC name of N-[(E)-benzylideneamino]-2-(4-butoxyphenoxy)acetamide?
The IUPAC name of N-[(E)-benzylideneamino]-2-(4-butoxyphenoxy)acetamide (CID 5334518) is N-[(E)-benzylideneamino]-2-(4-butoxyphenoxy)acetamide.
What is the SMILES notation for N-[(E)-benzylideneamino]-2-(4-butoxyphenoxy)acetamide?
The canonical SMILES for N-[(E)-benzylideneamino]-2-(4-butoxyphenoxy)acetamide is CCCCOc1ccc(OCC(=O)N/N=C/c2ccccc2)cc1.
What is the InChIKey of N-[(E)-benzylideneamino]-2-(4-butoxyphenoxy)acetamide?
The InChIKey is HEJMSZQRJHTUPW-XSFVSMFZSA-N. The full InChI is InChI=1S/C19H22N2O3/c1-2-3-13-23-17-9-11-18(12-10-17)24-15-19(22)21-20-14-16-7-5-4-6-8-16/h4-12,14H,2-3,13,15H2,1H3,(H,21,22)/b20-14+.
What are the key properties of N-[(E)-benzylideneamino]-2-(4-butoxyphenoxy)acetamide?
N-[(E)-benzylideneamino]-2-(4-butoxyphenoxy)acetamide has a molecular weight of 326.40 g/mol, XLogP of 3.39, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-benzylideneamino]-2-(4-butoxyphenoxy)acetamide is sourced from PubChem (CID 5334518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).