N-(3,3-dimethylbutan-2-ylideneamino)-2-(4-phenylphenoxy)acetamide

C20H24N2O2 — CID 3270938

IUPACN-(3,3-dimethylbutan-2-ylideneamino)-2-(4-phenylphenoxy)acetamide
SMILESCC(=NNC(=O)COc1ccc(-c2ccccc2)cc1)C(C)(C)C
InChIInChI=1S/C20H24N2O2/c1-15(20(2,3)4)21-22-19(23)14-24-18-12-10-17(11-13-18)16-8-6-5-7-9-16/h5-13H,14H2,1-4H3,(H,22,23)
InChIKeyNXDYPYUSURFOLM-UHFFFAOYSA-N
MW324.42 g/mol
LogP4.27
Rot. Bonds5

About N-(3,3-dimethylbutan-2-ylideneamino)-2-(4-phenylphenoxy)acetamide

N-(3,3-dimethylbutan-2-ylideneamino)-2-(4-phenylphenoxy)acetamide (PubChem CID 3270938) has the molecular formula C20H24N2O2 and a molecular weight of 324.42 g/mol. Its IUPAC name is N-(3,3-dimethylbutan-2-ylideneamino)-2-(4-phenylphenoxy)acetamide.

Molecular Properties

Compound NameN-(3,3-dimethylbutan-2-ylideneamino)-2-(4-phenylphenoxy)acetamide
PubChem CID3270938
Molecular FormulaC20H24N2O2
Molecular Weight324.42 g/mol
Exact Mass324.18
IUPAC NameN-(3,3-dimethylbutan-2-ylideneamino)-2-(4-phenylphenoxy)acetamide
SMILESCC(=NNC(=O)COc1ccc(-c2ccccc2)cc1)C(C)(C)C
InChIInChI=1S/C20H24N2O2/c1-15(20(2,3)4)21-22-19(23)14-24-18-12-10-17(11-13-18)16-8-6-5-7-9-16/h5-13H,14H2,1-4H3,(H,22,23)
InChIKeyNXDYPYUSURFOLM-UHFFFAOYSA-N
XLogP4.27
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.42
LogP ≤ 54.27
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-[(Z)-3,3-dimethylbutan-2-ylideneamino]-2-phenoxyacetamide
CID 6381920
2-(4-chlorophenoxy)-N-(3,3-dimethylbutan-2-ylideneamino)acetamide
CID 3467390
N-[(E)-heptan-2-ylideneamino]-2-(4-phenylphenoxy)acetamide
CID 54784739
2-phenoxy-N-(1-phenylethylideneamino)acetamide
CID 3448907
N'-acetyl-2-(4-phenylphenoxy)acetohydrazide
CID 3274977
N-[(E)-1-(4-phenylphenyl)propylideneamino]-2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]acetamide
CID 6385300
2-(4-iodophenoxy)-N-[(Z)-1-phenylethylideneamino]acetamide
CID 171980951
N-carbamoyl-2-(4-phenylphenoxy)acetamide
CID 7868557
2-(4-ethylphenoxy)-N-(1-phenylethylideneamino)acetamide
CID 905266
N-(cyclopentylideneamino)-2-(4-phenylphenoxy)acetamide
CID 4562068
2-(4-phenylphenoxy)-N-[[(2S)-2-phenylpropylidene]amino]acetamide
CID 129439170
2-phenoxy-N-(1-phenylpropan-2-ylideneamino)acetamide
CID 5152097

Frequently Asked Questions

What is the IUPAC name of N-(3,3-dimethylbutan-2-ylideneamino)-2-(4-phenylphenoxy)acetamide?
The IUPAC name of N-(3,3-dimethylbutan-2-ylideneamino)-2-(4-phenylphenoxy)acetamide (CID 3270938) is N-(3,3-dimethylbutan-2-ylideneamino)-2-(4-phenylphenoxy)acetamide.
What is the SMILES notation for N-(3,3-dimethylbutan-2-ylideneamino)-2-(4-phenylphenoxy)acetamide?
The canonical SMILES for N-(3,3-dimethylbutan-2-ylideneamino)-2-(4-phenylphenoxy)acetamide is CC(=NNC(=O)COc1ccc(-c2ccccc2)cc1)C(C)(C)C.
What is the InChIKey of N-(3,3-dimethylbutan-2-ylideneamino)-2-(4-phenylphenoxy)acetamide?
The InChIKey is NXDYPYUSURFOLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O2/c1-15(20(2,3)4)21-22-19(23)14-24-18-12-10-17(11-13-18)16-8-6-5-7-9-16/h5-13H,14H2,1-4H3,(H,22,23).
What are the key properties of N-(3,3-dimethylbutan-2-ylideneamino)-2-(4-phenylphenoxy)acetamide?
N-(3,3-dimethylbutan-2-ylideneamino)-2-(4-phenylphenoxy)acetamide has a molecular weight of 324.42 g/mol, XLogP of 4.27, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-dimethylbutan-2-ylideneamino)-2-(4-phenylphenoxy)acetamide is sourced from PubChem (CID 3270938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).