2-(5-methyl-2-propan-2-ylphenoxy)-N-[(Z)-[(2R)-2-phenylpropylidene]amino]acetamide

C21H26N2O2 — CID 7728220

IUPAC2-(5-methyl-2-propan-2-ylphenoxy)-N-[(Z)-[(2R)-2-phenylpropylidene]amino]acetamide
SMILESCc1ccc(C(C)C)c(OCC(=O)N/N=C\[C@H](C)c2ccccc2)c1
InChIInChI=1S/C21H26N2O2/c1-15(2)19-11-10-16(3)12-20(19)25-14-21(24)23-22-13-17(4)18-8-6-5-7-9-18/h5-13,15,17H,14H2,1-4H3,(H,23,24)/b22-13-/t17-/m0/s1
InChIKeyPJDXILXGZXRYPH-RIWZNOJBSA-N
MW338.45 g/mol
LogP4.40
Rot. Bonds7

About 2-(5-methyl-2-propan-2-ylphenoxy)-N-[(Z)-[(2R)-2-phenylpropylidene]amino]acetamide

2-(5-methyl-2-propan-2-ylphenoxy)-N-[(Z)-[(2R)-2-phenylpropylidene]amino]acetamide (PubChem CID 7728220) has the molecular formula C21H26N2O2 and a molecular weight of 338.45 g/mol. Its IUPAC name is 2-(5-methyl-2-propan-2-ylphenoxy)-N-[(Z)-[(2R)-2-phenylpropylidene]amino]acetamide.

Molecular Properties

Compound Name2-(5-methyl-2-propan-2-ylphenoxy)-N-[(Z)-[(2R)-2-phenylpropylidene]amino]acetamide
PubChem CID7728220
Molecular FormulaC21H26N2O2
Molecular Weight338.45 g/mol
Exact Mass338.20
IUPAC Name2-(5-methyl-2-propan-2-ylphenoxy)-N-[(Z)-[(2R)-2-phenylpropylidene]amino]acetamide
SMILESCc1ccc(C(C)C)c(OCC(=O)N/N=C\[C@H](C)c2ccccc2)c1
InChIInChI=1S/C21H26N2O2/c1-15(2)19-11-10-16(3)12-20(19)25-14-21(24)23-22-13-17(4)18-8-6-5-7-9-18/h5-13,15,17H,14H2,1-4H3,(H,23,24)/b22-13-/t17-/m0/s1
InChIKeyPJDXILXGZXRYPH-RIWZNOJBSA-N
XLogP4.40
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 54.40
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-(5-methyl-2-propan-2-ylphenoxy)-N-(propylideneamino)acetamide
CID 5187756
N-[(E)-3-methylbutylideneamino]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide
CID 19166730
2-(3-methylphenoxy)-N-(2-phenylpropylideneamino)acetamide
CID 4261144
2-(5-methyl-2-propan-2-ylphenoxy)-N-[(1R)-1-phenylethyl]acetamide
CID 921036
2-(5-methyl-2-propan-2-ylphenoxy)-N-[(2,4,6-trimethylphenyl)methylideneamino]acetamide
CID 3529778
N-[(E)-(2-hydroxy-5-phenylfuran-3-yl)methylideneamino]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide
CID 135987122
N-[(E)-(3-hydroxyphenyl)methylideneamino]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide
CID 6898722
2-(5-methyl-2-propan-2-ylphenoxy)-N-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]acetamide
CID 6142910
N-[(E)-(4-bromophenyl)methylideneamino]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide
CID 6898844
N-[(3-chlorophenyl)methylideneamino]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide
CID 690156
2-(4-phenylphenoxy)-N-[[(2S)-2-phenylpropylidene]amino]acetamide
CID 129439170
2-(2,6-dimethylphenoxy)-N-[(Z)-[(2R)-2-phenylpropylidene]amino]acetamide
CID 40746747

Frequently Asked Questions

What is the IUPAC name of 2-(5-methyl-2-propan-2-ylphenoxy)-N-[(Z)-[(2R)-2-phenylpropylidene]amino]acetamide?
The IUPAC name of 2-(5-methyl-2-propan-2-ylphenoxy)-N-[(Z)-[(2R)-2-phenylpropylidene]amino]acetamide (CID 7728220) is 2-(5-methyl-2-propan-2-ylphenoxy)-N-[(Z)-[(2R)-2-phenylpropylidene]amino]acetamide.
What is the SMILES notation for 2-(5-methyl-2-propan-2-ylphenoxy)-N-[(Z)-[(2R)-2-phenylpropylidene]amino]acetamide?
The canonical SMILES for 2-(5-methyl-2-propan-2-ylphenoxy)-N-[(Z)-[(2R)-2-phenylpropylidene]amino]acetamide is Cc1ccc(C(C)C)c(OCC(=O)N/N=C\[C@H](C)c2ccccc2)c1.
What is the InChIKey of 2-(5-methyl-2-propan-2-ylphenoxy)-N-[(Z)-[(2R)-2-phenylpropylidene]amino]acetamide?
The InChIKey is PJDXILXGZXRYPH-RIWZNOJBSA-N. The full InChI is InChI=1S/C21H26N2O2/c1-15(2)19-11-10-16(3)12-20(19)25-14-21(24)23-22-13-17(4)18-8-6-5-7-9-18/h5-13,15,17H,14H2,1-4H3,(H,23,24)/b22-13-/t17-/m0/s1.
What are the key properties of 2-(5-methyl-2-propan-2-ylphenoxy)-N-[(Z)-[(2R)-2-phenylpropylidene]amino]acetamide?
2-(5-methyl-2-propan-2-ylphenoxy)-N-[(Z)-[(2R)-2-phenylpropylidene]amino]acetamide has a molecular weight of 338.45 g/mol, XLogP of 4.40, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methyl-2-propan-2-ylphenoxy)-N-[(Z)-[(2R)-2-phenylpropylidene]amino]acetamide is sourced from PubChem (CID 7728220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).