N-(3-ethoxypropyl)-2-(5-methyl-2-propan-2-ylphenoxy)acetamide

C17H27NO3 — CID 78759998

IUPACN-(3-ethoxypropyl)-2-(5-methyl-2-propan-2-ylphenoxy)acetamide
SMILESCCOCCCNC(=O)COc1cc(C)ccc1C(C)C
InChIInChI=1S/C17H27NO3/c1-5-20-10-6-9-18-17(19)12-21-16-11-14(4)7-8-15(16)13(2)3/h7-8,11,13H,5-6,9-10,12H2,1-4H3,(H,18,19)
InChIKeyCZOUUXYNZICHEZ-UHFFFAOYSA-N
MW293.41 g/mol
LogP3.04
Rot. Bonds9

About N-(3-ethoxypropyl)-2-(5-methyl-2-propan-2-ylphenoxy)acetamide

N-(3-ethoxypropyl)-2-(5-methyl-2-propan-2-ylphenoxy)acetamide (PubChem CID 78759998) has the molecular formula C17H27NO3 and a molecular weight of 293.41 g/mol. Its IUPAC name is N-(3-ethoxypropyl)-2-(5-methyl-2-propan-2-ylphenoxy)acetamide.

Molecular Properties

Compound NameN-(3-ethoxypropyl)-2-(5-methyl-2-propan-2-ylphenoxy)acetamide
PubChem CID78759998
Molecular FormulaC17H27NO3
Molecular Weight293.41 g/mol
Exact Mass293.20
IUPAC NameN-(3-ethoxypropyl)-2-(5-methyl-2-propan-2-ylphenoxy)acetamide
SMILESCCOCCCNC(=O)COc1cc(C)ccc1C(C)C
InChIInChI=1S/C17H27NO3/c1-5-20-10-6-9-18-17(19)12-21-16-11-14(4)7-8-15(16)13(2)3/h7-8,11,13H,5-6,9-10,12H2,1-4H3,(H,18,19)
InChIKeyCZOUUXYNZICHEZ-UHFFFAOYSA-N
XLogP3.04
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-(3,4-dimethylphenoxy)ethyl]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide
CID 100559902
N-[3-(3-methylphenyl)propyl]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide
CID 100532072
N'-butyl-2-(5-methyl-2-propan-2-ylphenoxy)acetohydrazide
CID 4213436
2-(5-methyl-2-propan-2-ylphenoxy)-N-(2-methylpropyl)acetamide
CID 18823962
2-(5-methyl-2-propan-2-ylphenoxy)-N-(propylideneamino)acetamide
CID 5187756
(2R)-2-[[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]amino]-N-propylpropanamide
CID 7581934
2-(5-methyl-2-propan-2-ylphenoxy)-N-(2,2,2-trifluoroethyl)acetamide
CID 78759979
N-[3-(3-methylpiperidin-1-yl)propyl]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide
CID 133160653
4-chloro-N-[2-[[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]amino]ethyl]benzamide
CID 34992949
[2-oxo-2-(3-phenylpropylamino)ethyl] 2-(5-methyl-2-propan-2-ylphenoxy)acetate
CID 35576743
2-[5-methyl-2-[1-(propylamino)ethyl]phenoxy]-N-propylacetamide
CID 63640126
N-[(E)-3-methylbutylideneamino]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide
CID 19166730

Frequently Asked Questions

What is the IUPAC name of N-(3-ethoxypropyl)-2-(5-methyl-2-propan-2-ylphenoxy)acetamide?
The IUPAC name of N-(3-ethoxypropyl)-2-(5-methyl-2-propan-2-ylphenoxy)acetamide (CID 78759998) is N-(3-ethoxypropyl)-2-(5-methyl-2-propan-2-ylphenoxy)acetamide.
What is the SMILES notation for N-(3-ethoxypropyl)-2-(5-methyl-2-propan-2-ylphenoxy)acetamide?
The canonical SMILES for N-(3-ethoxypropyl)-2-(5-methyl-2-propan-2-ylphenoxy)acetamide is CCOCCCNC(=O)COc1cc(C)ccc1C(C)C.
What is the InChIKey of N-(3-ethoxypropyl)-2-(5-methyl-2-propan-2-ylphenoxy)acetamide?
The InChIKey is CZOUUXYNZICHEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO3/c1-5-20-10-6-9-18-17(19)12-21-16-11-14(4)7-8-15(16)13(2)3/h7-8,11,13H,5-6,9-10,12H2,1-4H3,(H,18,19).
What are the key properties of N-(3-ethoxypropyl)-2-(5-methyl-2-propan-2-ylphenoxy)acetamide?
N-(3-ethoxypropyl)-2-(5-methyl-2-propan-2-ylphenoxy)acetamide has a molecular weight of 293.41 g/mol, XLogP of 3.04, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethoxypropyl)-2-(5-methyl-2-propan-2-ylphenoxy)acetamide is sourced from PubChem (CID 78759998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).