N-(butan-2-ylideneamino)-2-(4-cyanophenoxy)acetamide

C13H15N3O2 — CID 3686210

IUPACN-(butan-2-ylideneamino)-2-(4-cyanophenoxy)acetamide
SMILESCCC(C)=NNC(=O)COc1ccc(C#N)cc1
InChIInChI=1S/C13H15N3O2/c1-3-10(2)15-16-13(17)9-18-12-6-4-11(8-14)5-7-12/h4-7H,3,9H2,1-2H3,(H,16,17)
InChIKeyRWBQFEQWOQHFQF-UHFFFAOYSA-N
MW245.28 g/mol
LogP1.84
Rot. Bonds5

About N-(butan-2-ylideneamino)-2-(4-cyanophenoxy)acetamide

N-(butan-2-ylideneamino)-2-(4-cyanophenoxy)acetamide (PubChem CID 3686210) has the molecular formula C13H15N3O2 and a molecular weight of 245.28 g/mol. Its IUPAC name is N-(butan-2-ylideneamino)-2-(4-cyanophenoxy)acetamide.

Molecular Properties

Compound NameN-(butan-2-ylideneamino)-2-(4-cyanophenoxy)acetamide
PubChem CID3686210
Molecular FormulaC13H15N3O2
Molecular Weight245.28 g/mol
Exact Mass245.12
IUPAC NameN-(butan-2-ylideneamino)-2-(4-cyanophenoxy)acetamide
SMILESCCC(C)=NNC(=O)COc1ccc(C#N)cc1
InChIInChI=1S/C13H15N3O2/c1-3-10(2)15-16-13(17)9-18-12-6-4-11(8-14)5-7-12/h4-7H,3,9H2,1-2H3,(H,16,17)
InChIKeyRWBQFEQWOQHFQF-UHFFFAOYSA-N
XLogP1.84
TPSA74.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 51.84
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

2-(4-cyanophenoxy)-N-(pentan-3-ylideneamino)acetamide
CID 4082940
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-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylideneamino]acetamide
CID 9316629
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
2-(4-cyanophenoxy)-N-[(2R)-pentan-2-yl]acetamide
CID 7503246

Frequently Asked Questions

What is the IUPAC name of N-(butan-2-ylideneamino)-2-(4-cyanophenoxy)acetamide?
The IUPAC name of N-(butan-2-ylideneamino)-2-(4-cyanophenoxy)acetamide (CID 3686210) is N-(butan-2-ylideneamino)-2-(4-cyanophenoxy)acetamide.
What is the SMILES notation for N-(butan-2-ylideneamino)-2-(4-cyanophenoxy)acetamide?
The canonical SMILES for N-(butan-2-ylideneamino)-2-(4-cyanophenoxy)acetamide is CCC(C)=NNC(=O)COc1ccc(C#N)cc1.
What is the InChIKey of N-(butan-2-ylideneamino)-2-(4-cyanophenoxy)acetamide?
The InChIKey is RWBQFEQWOQHFQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2/c1-3-10(2)15-16-13(17)9-18-12-6-4-11(8-14)5-7-12/h4-7H,3,9H2,1-2H3,(H,16,17).
What are the key properties of N-(butan-2-ylideneamino)-2-(4-cyanophenoxy)acetamide?
N-(butan-2-ylideneamino)-2-(4-cyanophenoxy)acetamide has a molecular weight of 245.28 g/mol, XLogP of 1.84, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(butan-2-ylideneamino)-2-(4-cyanophenoxy)acetamide is sourced from PubChem (CID 3686210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).