2-(4-cyanophenoxy)-N-(pentan-3-ylideneamino)acetamide

C14H17N3O2 — CID 4082940

IUPAC2-(4-cyanophenoxy)-N-(pentan-3-ylideneamino)acetamide
SMILESCCC(CC)=NNC(=O)COc1ccc(C#N)cc1
InChIInChI=1S/C14H17N3O2/c1-3-12(4-2)16-17-14(18)10-19-13-7-5-11(9-15)6-8-13/h5-8H,3-4,10H2,1-2H3,(H,17,18)
InChIKeyFEACONFIRVCVSH-UHFFFAOYSA-N
MW259.31 g/mol
LogP2.23
Rot. Bonds6

About 2-(4-cyanophenoxy)-N-(pentan-3-ylideneamino)acetamide

2-(4-cyanophenoxy)-N-(pentan-3-ylideneamino)acetamide (PubChem CID 4082940) has the molecular formula C14H17N3O2 and a molecular weight of 259.31 g/mol. Its IUPAC name is 2-(4-cyanophenoxy)-N-(pentan-3-ylideneamino)acetamide.

Molecular Properties

Compound Name2-(4-cyanophenoxy)-N-(pentan-3-ylideneamino)acetamide
PubChem CID4082940
Molecular FormulaC14H17N3O2
Molecular Weight259.31 g/mol
Exact Mass259.13
IUPAC Name2-(4-cyanophenoxy)-N-(pentan-3-ylideneamino)acetamide
SMILESCCC(CC)=NNC(=O)COc1ccc(C#N)cc1
InChIInChI=1S/C14H17N3O2/c1-3-12(4-2)16-17-14(18)10-19-13-7-5-11(9-15)6-8-13/h5-8H,3-4,10H2,1-2H3,(H,17,18)
InChIKeyFEACONFIRVCVSH-UHFFFAOYSA-N
XLogP2.23
TPSA74.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-(butan-2-ylideneamino)-2-(4-cyanophenoxy)acetamide
CID 3686210
2-(4-cyanophenoxy)-N-[(Z)-1-(4-ethylphenyl)ethylideneamino]acetamide
CID 9316462
2-(4-cyanophenoxy)-N-[(Z)-1-(4-propylphenyl)ethylideneamino]acetamide
CID 9316565
2-(4-cyanophenoxy)-N-[(Z)-1-[4-(dimethylamino)phenyl]ethylideneamino]acetamide
CID 9256860
2-(4-cyanophenoxy)-N-[(Z)-1-(furan-2-yl)ethylideneamino]acetamide
CID 6378395
2-(4-cyanophenoxy)-N-[(Z)-1-(2,5-dichlorophenyl)ethylideneamino]acetamide
CID 9316609
2-(4-cyanophenoxy)-N-[(Z)-1-(2,4-dimethoxyphenyl)ethylideneamino]acetamide
CID 9316574
2-(4-cyanophenoxy)-N-[(Z)-1-(2,5-dimethoxyphenyl)ethylideneamino]acetamide
CID 9316623
ethyl N-[[2-(4-cyanophenoxy)acetyl]amino]carbamate
CID 7978445
2-(4-cyanophenoxy)-N-(fluoren-9-ylideneamino)acetamide
CID 9316575
N-(4-cyanophenyl)-2-[4-(4-cyanophenyl)phenoxy]acetamide
CID 7966728
2-(4-cyanophenoxy)-N-[(2R)-pentan-2-yl]acetamide
CID 7503246

Frequently Asked Questions

What is the IUPAC name of 2-(4-cyanophenoxy)-N-(pentan-3-ylideneamino)acetamide?
The IUPAC name of 2-(4-cyanophenoxy)-N-(pentan-3-ylideneamino)acetamide (CID 4082940) is 2-(4-cyanophenoxy)-N-(pentan-3-ylideneamino)acetamide.
What is the SMILES notation for 2-(4-cyanophenoxy)-N-(pentan-3-ylideneamino)acetamide?
The canonical SMILES for 2-(4-cyanophenoxy)-N-(pentan-3-ylideneamino)acetamide is CCC(CC)=NNC(=O)COc1ccc(C#N)cc1.
What is the InChIKey of 2-(4-cyanophenoxy)-N-(pentan-3-ylideneamino)acetamide?
The InChIKey is FEACONFIRVCVSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2/c1-3-12(4-2)16-17-14(18)10-19-13-7-5-11(9-15)6-8-13/h5-8H,3-4,10H2,1-2H3,(H,17,18).
What are the key properties of 2-(4-cyanophenoxy)-N-(pentan-3-ylideneamino)acetamide?
2-(4-cyanophenoxy)-N-(pentan-3-ylideneamino)acetamide has a molecular weight of 259.31 g/mol, XLogP of 2.23, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyanophenoxy)-N-(pentan-3-ylideneamino)acetamide is sourced from PubChem (CID 4082940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).