2-(4-phenylphenoxy)-N-[[(2S)-2-phenylpropylidene]amino]acetamide

C23H22N2O2 — CID 129439170

IUPAC2-(4-phenylphenoxy)-N-[[(2S)-2-phenylpropylidene]amino]acetamide
SMILESC[C@H](C=NNC(=O)COc1ccc(-c2ccccc2)cc1)c1ccccc1
InChIInChI=1S/C23H22N2O2/c1-18(19-8-4-2-5-9-19)16-24-25-23(26)17-27-22-14-12-21(13-15-22)20-10-6-3-7-11-20/h2-16,18H,17H2,1H3,(H,25,26)/t18-/m1/s1
InChIKeyKSSUOQHNRASATK-GOSISDBHSA-N
MW358.44 g/mol
LogP4.64
Rot. Bonds7

About 2-(4-phenylphenoxy)-N-[[(2S)-2-phenylpropylidene]amino]acetamide

2-(4-phenylphenoxy)-N-[[(2S)-2-phenylpropylidene]amino]acetamide (PubChem CID 129439170) has the molecular formula C23H22N2O2 and a molecular weight of 358.44 g/mol. Its IUPAC name is 2-(4-phenylphenoxy)-N-[[(2S)-2-phenylpropylidene]amino]acetamide.

Molecular Properties

Compound Name2-(4-phenylphenoxy)-N-[[(2S)-2-phenylpropylidene]amino]acetamide
PubChem CID129439170
Molecular FormulaC23H22N2O2
Molecular Weight358.44 g/mol
Exact Mass358.17
IUPAC Name2-(4-phenylphenoxy)-N-[[(2S)-2-phenylpropylidene]amino]acetamide
SMILESC[C@H](C=NNC(=O)COc1ccc(-c2ccccc2)cc1)c1ccccc1
InChIInChI=1S/C23H22N2O2/c1-18(19-8-4-2-5-9-19)16-24-25-23(26)17-27-22-14-12-21(13-15-22)20-10-6-3-7-11-20/h2-16,18H,17H2,1H3,(H,25,26)/t18-/m1/s1
InChIKeyKSSUOQHNRASATK-GOSISDBHSA-N
XLogP4.64
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.44
LogP ≤ 54.64
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

2-(3-methylphenoxy)-N-(2-phenylpropylideneamino)acetamide
CID 4261144
2-(2,6-dimethylphenoxy)-N-(2-phenylpropylideneamino)acetamide
CID 71950765
2-(2,6-dimethylphenoxy)-N-[(Z)-[(2R)-2-phenylpropylidene]amino]acetamide
CID 40746747
2-(5-methyl-2-propan-2-ylphenoxy)-N-[(Z)-[(2R)-2-phenylpropylidene]amino]acetamide
CID 7728220
N-(cinnamylideneamino)-2-(4-phenylphenoxy)acetamide
CID 4198781
2-(2-nitrophenoxy)-N-[(Z)-[(2R)-2-phenylpropylidene]amino]acetamide
CID 7720091
2-(4-methoxyphenoxy)-N-(2-methylpropylideneamino)acetamide
CID 4632362
N-[(E)-ethylideneamino]-2-phenoxyacetamide
CID 6533905
N-[(3-methylthiophen-2-yl)methylideneamino]-2-(4-phenylphenoxy)acetamide
CID 3263674
N-[(E)-(3,4-dihydroxyphenyl)methylideneamino]-2-(4-phenylphenoxy)acetamide
CID 135852679
N-[(Z)-[2-(difluoromethoxy)phenyl]methylideneamino]-2-(4-phenylphenoxy)acetamide
CID 9316682
N-(3,3-dimethylbutan-2-ylideneamino)-2-(4-phenylphenoxy)acetamide
CID 3270938

Frequently Asked Questions

What is the IUPAC name of 2-(4-phenylphenoxy)-N-[[(2S)-2-phenylpropylidene]amino]acetamide?
The IUPAC name of 2-(4-phenylphenoxy)-N-[[(2S)-2-phenylpropylidene]amino]acetamide (CID 129439170) is 2-(4-phenylphenoxy)-N-[[(2S)-2-phenylpropylidene]amino]acetamide.
What is the SMILES notation for 2-(4-phenylphenoxy)-N-[[(2S)-2-phenylpropylidene]amino]acetamide?
The canonical SMILES for 2-(4-phenylphenoxy)-N-[[(2S)-2-phenylpropylidene]amino]acetamide is C[C@H](C=NNC(=O)COc1ccc(-c2ccccc2)cc1)c1ccccc1.
What is the InChIKey of 2-(4-phenylphenoxy)-N-[[(2S)-2-phenylpropylidene]amino]acetamide?
The InChIKey is KSSUOQHNRASATK-GOSISDBHSA-N. The full InChI is InChI=1S/C23H22N2O2/c1-18(19-8-4-2-5-9-19)16-24-25-23(26)17-27-22-14-12-21(13-15-22)20-10-6-3-7-11-20/h2-16,18H,17H2,1H3,(H,25,26)/t18-/m1/s1.
What are the key properties of 2-(4-phenylphenoxy)-N-[[(2S)-2-phenylpropylidene]amino]acetamide?
2-(4-phenylphenoxy)-N-[[(2S)-2-phenylpropylidene]amino]acetamide has a molecular weight of 358.44 g/mol, XLogP of 4.64, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-phenylphenoxy)-N-[[(2S)-2-phenylpropylidene]amino]acetamide is sourced from PubChem (CID 129439170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).