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

C19H22N2O2 — CID 6876624

IUPACN-[(E)-benzylideneamino]-2-(4-butylphenoxy)acetamide
SMILESCCCCc1ccc(OCC(=O)N/N=C/c2ccccc2)cc1
InChIInChI=1S/C19H22N2O2/c1-2-3-7-16-10-12-18(13-11-16)23-15-19(22)21-20-14-17-8-5-4-6-9-17/h4-6,8-14H,2-3,7,15H2,1H3,(H,21,22)/b20-14+
InChIKeyJDYBFRPJWDHQCN-XSFVSMFZSA-N
MW310.40 g/mol
LogP3.56
Rot. Bonds8

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

N-[(E)-benzylideneamino]-2-(4-butylphenoxy)acetamide (PubChem CID 6876624) has the molecular formula C19H22N2O2 and a molecular weight of 310.40 g/mol. Its IUPAC name is N-[(E)-benzylideneamino]-2-(4-butylphenoxy)acetamide.

Molecular Properties

Compound NameN-[(E)-benzylideneamino]-2-(4-butylphenoxy)acetamide
PubChem CID6876624
Molecular FormulaC19H22N2O2
Molecular Weight310.40 g/mol
Exact Mass310.17
IUPAC NameN-[(E)-benzylideneamino]-2-(4-butylphenoxy)acetamide
SMILESCCCCc1ccc(OCC(=O)N/N=C/c2ccccc2)cc1
InChIInChI=1S/C19H22N2O2/c1-2-3-7-16-10-12-18(13-11-16)23-15-19(22)21-20-14-17-8-5-4-6-9-17/h4-6,8-14H,2-3,7,15H2,1H3,(H,21,22)/b20-14+
InChIKeyJDYBFRPJWDHQCN-XSFVSMFZSA-N
XLogP3.56
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'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-butoxyphenoxy)acetamide
CID 5334518
2-(4-butylphenoxy)-N-[(Z)-pyridin-3-ylmethylideneamino]acetamide
CID 6042930
N-[(E)-benzylideneamino]-2-(4-octoxyphenoxy)acetamide
CID 46501793
2-(4-butylphenoxy)-N-[(E)-(3-nitrophenyl)methylideneamino]acetamide
CID 6873068
N-[(Z)-(4-methoxyphenyl)methylideneamino]-2-(4-propylphenoxy)acetamide
CID 6386184
[4-[[[2-(4-butylphenoxy)acetyl]hydrazinylidene]methyl]phenyl] 4-chlorobenzoate
CID 5214777
2-(4-butylphenoxy)-N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]acetamide
CID 135606578
N-[(Z)-anthracen-9-ylmethylideneamino]-2-(4-pentylphenoxy)acetamide
CID 5375690
N-(anthracen-9-ylmethylideneamino)-2-(4-pentylphenoxy)acetamide
CID 609044
2-(4-ethylphenoxy)-N-[(E)-(4-hexoxyphenyl)methylideneamino]acetamide
CID 19190683
2-(4-butoxyphenoxy)-N-[(4-hydroxyphenyl)methylideneamino]acetamide
CID 3562472
2-(4-phenylmethoxyphenoxy)-N-[(4-phenylmethoxyphenyl)methylideneamino]acetamide
CID 4259945

Frequently Asked Questions

What is the IUPAC name of N-[(E)-benzylideneamino]-2-(4-butylphenoxy)acetamide?
The IUPAC name of N-[(E)-benzylideneamino]-2-(4-butylphenoxy)acetamide (CID 6876624) is N-[(E)-benzylideneamino]-2-(4-butylphenoxy)acetamide.
What is the SMILES notation for N-[(E)-benzylideneamino]-2-(4-butylphenoxy)acetamide?
The canonical SMILES for N-[(E)-benzylideneamino]-2-(4-butylphenoxy)acetamide is CCCCc1ccc(OCC(=O)N/N=C/c2ccccc2)cc1.
What is the InChIKey of N-[(E)-benzylideneamino]-2-(4-butylphenoxy)acetamide?
The InChIKey is JDYBFRPJWDHQCN-XSFVSMFZSA-N. The full InChI is InChI=1S/C19H22N2O2/c1-2-3-7-16-10-12-18(13-11-16)23-15-19(22)21-20-14-17-8-5-4-6-9-17/h4-6,8-14H,2-3,7,15H2,1H3,(H,21,22)/b20-14+.
What are the key properties of N-[(E)-benzylideneamino]-2-(4-butylphenoxy)acetamide?
N-[(E)-benzylideneamino]-2-(4-butylphenoxy)acetamide has a molecular weight of 310.40 g/mol, XLogP of 3.56, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-benzylideneamino]-2-(4-butylphenoxy)acetamide is sourced from PubChem (CID 6876624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).