2-(5-methyl-2-propan-2-ylphenoxy)-N-(propylideneamino)acetamide

C15H22N2O2 — CID 5187756

IUPAC2-(5-methyl-2-propan-2-ylphenoxy)-N-(propylideneamino)acetamide
SMILESCCC=NNC(=O)COc1cc(C)ccc1C(C)C
InChIInChI=1S/C15H22N2O2/c1-5-8-16-17-15(18)10-19-14-9-12(4)6-7-13(14)11(2)3/h6-9,11H,5,10H2,1-4H3,(H,17,18)
InChIKeyMBCQDLIOEATZCO-UHFFFAOYSA-N
MW262.35 g/mol
LogP3.01
Rot. Bonds6

About 2-(5-methyl-2-propan-2-ylphenoxy)-N-(propylideneamino)acetamide

2-(5-methyl-2-propan-2-ylphenoxy)-N-(propylideneamino)acetamide (PubChem CID 5187756) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is 2-(5-methyl-2-propan-2-ylphenoxy)-N-(propylideneamino)acetamide.

Molecular Properties

Compound Name2-(5-methyl-2-propan-2-ylphenoxy)-N-(propylideneamino)acetamide
PubChem CID5187756
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name2-(5-methyl-2-propan-2-ylphenoxy)-N-(propylideneamino)acetamide
SMILESCCC=NNC(=O)COc1cc(C)ccc1C(C)C
InChIInChI=1S/C15H22N2O2/c1-5-8-16-17-15(18)10-19-14-9-12(4)6-7-13(14)11(2)3/h6-9,11H,5,10H2,1-4H3,(H,17,18)
InChIKeyMBCQDLIOEATZCO-UHFFFAOYSA-N
XLogP3.01
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 53.01
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-[(E)-3-methylbutylideneamino]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide
CID 19166730
N-[(4-ethylphenyl)methylideneamino]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide
CID 5189524
2-(5-methyl-2-propan-2-ylphenoxy)-N-[(2,4,6-trimethylphenyl)methylideneamino]acetamide
CID 3529778
2-(5-methyl-2-propan-2-ylphenoxy)-N-[(Z)-[(2R)-2-phenylpropylidene]amino]acetamide
CID 7728220
N-[(E)-(4-bromophenyl)methylideneamino]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide
CID 6898844
N-[(Z)-(4-methoxyphenyl)methylideneamino]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide
CID 5410642
N-[(E)-(3-hydroxyphenyl)methylideneamino]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide
CID 6898722
N-[(E)-(5-bromo-2-ethoxyphenyl)methylideneamino]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide
CID 6869999
N-[(3-chlorophenyl)methylideneamino]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide
CID 690156
N-[(Z)-(4-bromothiophen-2-yl)methylideneamino]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide
CID 7728221
N-[(Z)-(3-hydroxy-4-methoxyphenyl)methylideneamino]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide
CID 5446423
N-[(E)-(3-bromo-5-ethoxy-4-hydroxyphenyl)methylideneamino]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide
CID 135825097

Frequently Asked Questions

What is the IUPAC name of 2-(5-methyl-2-propan-2-ylphenoxy)-N-(propylideneamino)acetamide?
The IUPAC name of 2-(5-methyl-2-propan-2-ylphenoxy)-N-(propylideneamino)acetamide (CID 5187756) is 2-(5-methyl-2-propan-2-ylphenoxy)-N-(propylideneamino)acetamide.
What is the SMILES notation for 2-(5-methyl-2-propan-2-ylphenoxy)-N-(propylideneamino)acetamide?
The canonical SMILES for 2-(5-methyl-2-propan-2-ylphenoxy)-N-(propylideneamino)acetamide is CCC=NNC(=O)COc1cc(C)ccc1C(C)C.
What is the InChIKey of 2-(5-methyl-2-propan-2-ylphenoxy)-N-(propylideneamino)acetamide?
The InChIKey is MBCQDLIOEATZCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-5-8-16-17-15(18)10-19-14-9-12(4)6-7-13(14)11(2)3/h6-9,11H,5,10H2,1-4H3,(H,17,18).
What are the key properties of 2-(5-methyl-2-propan-2-ylphenoxy)-N-(propylideneamino)acetamide?
2-(5-methyl-2-propan-2-ylphenoxy)-N-(propylideneamino)acetamide has a molecular weight of 262.35 g/mol, XLogP of 3.01, 6 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-(propylideneamino)acetamide is sourced from PubChem (CID 5187756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).