N-[(E)-heptan-2-ylideneamino]-2-(4-phenylphenoxy)acetamide

C21H26N2O2 — CID 54784739

IUPACN-[(E)-heptan-2-ylideneamino]-2-(4-phenylphenoxy)acetamide
SMILESCCCCC/C(C)=N/NC(=O)COc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C21H26N2O2/c1-3-4-6-9-17(2)22-23-21(24)16-25-20-14-12-19(13-15-20)18-10-7-5-8-11-18/h5,7-8,10-15H,3-4,6,9,16H2,1-2H3,(H,23,24)/b22-17+
InChIKeyAHNGYXUOPFNVBV-OQKWZONESA-N
MW338.45 g/mol
LogP4.80
Rot. Bonds9

About N-[(E)-heptan-2-ylideneamino]-2-(4-phenylphenoxy)acetamide

N-[(E)-heptan-2-ylideneamino]-2-(4-phenylphenoxy)acetamide (PubChem CID 54784739) has the molecular formula C21H26N2O2 and a molecular weight of 338.45 g/mol. Its IUPAC name is N-[(E)-heptan-2-ylideneamino]-2-(4-phenylphenoxy)acetamide.

Molecular Properties

Compound NameN-[(E)-heptan-2-ylideneamino]-2-(4-phenylphenoxy)acetamide
PubChem CID54784739
Molecular FormulaC21H26N2O2
Molecular Weight338.45 g/mol
Exact Mass338.20
IUPAC NameN-[(E)-heptan-2-ylideneamino]-2-(4-phenylphenoxy)acetamide
SMILESCCCCC/C(C)=N/NC(=O)COc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C21H26N2O2/c1-3-4-6-9-17(2)22-23-21(24)16-25-20-14-12-19(13-15-20)18-10-7-5-8-11-18/h5,7-8,10-15H,3-4,6,9,16H2,1-2H3,(H,23,24)/b22-17+
InChIKeyAHNGYXUOPFNVBV-OQKWZONESA-N
XLogP4.80
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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)-heptan-2-ylideneamino]-4-phenylbenzamide
CID 54784798
N-(3,3-dimethylbutan-2-ylideneamino)-2-(4-phenylphenoxy)acetamide
CID 3270938
2-(4-methylphenoxy)-N-(1-phenylpentylideneamino)acetamide
CID 4634362
N-[1-(4-phenylphenyl)ethylideneamino]hexanamide
CID 3111304
2-(4-methoxyphenoxy)-N-(1-phenylpentylideneamino)acetamide
CID 3559145
N-[(E)-1-(4-phenylphenyl)ethylideneamino]octanamide
CID 6163036
2-phenoxy-N-(1-phenylpropan-2-ylideneamino)acetamide
CID 5152097
2-phenoxy-N-(1-phenylethylideneamino)acetamide
CID 3448907
N-[(Z)-1-phenylethylideneamino]-2-(4-propylphenoxy)acetamide
CID 6008008
2-(4-bromo-2-methylphenoxy)-N-[(E)-heptan-2-ylideneamino]acetamide
CID 54784717
N'-acetyl-2-(4-phenylphenoxy)acetohydrazide
CID 3274977
N-[(E)-heptan-2-ylideneamino]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide
CID 54784829

Frequently Asked Questions

What is the IUPAC name of N-[(E)-heptan-2-ylideneamino]-2-(4-phenylphenoxy)acetamide?
The IUPAC name of N-[(E)-heptan-2-ylideneamino]-2-(4-phenylphenoxy)acetamide (CID 54784739) is N-[(E)-heptan-2-ylideneamino]-2-(4-phenylphenoxy)acetamide.
What is the SMILES notation for N-[(E)-heptan-2-ylideneamino]-2-(4-phenylphenoxy)acetamide?
The canonical SMILES for N-[(E)-heptan-2-ylideneamino]-2-(4-phenylphenoxy)acetamide is CCCCC/C(C)=N/NC(=O)COc1ccc(-c2ccccc2)cc1.
What is the InChIKey of N-[(E)-heptan-2-ylideneamino]-2-(4-phenylphenoxy)acetamide?
The InChIKey is AHNGYXUOPFNVBV-OQKWZONESA-N. The full InChI is InChI=1S/C21H26N2O2/c1-3-4-6-9-17(2)22-23-21(24)16-25-20-14-12-19(13-15-20)18-10-7-5-8-11-18/h5,7-8,10-15H,3-4,6,9,16H2,1-2H3,(H,23,24)/b22-17+.
What are the key properties of N-[(E)-heptan-2-ylideneamino]-2-(4-phenylphenoxy)acetamide?
N-[(E)-heptan-2-ylideneamino]-2-(4-phenylphenoxy)acetamide has a molecular weight of 338.45 g/mol, XLogP of 4.80, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-heptan-2-ylideneamino]-2-(4-phenylphenoxy)acetamide is sourced from PubChem (CID 54784739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).