2-(2-butan-2-ylphenoxy)-N-(3-propan-2-yloxypropyl)acetamide

C18H29NO3 — CID 86907773

IUPAC2-(2-butan-2-ylphenoxy)-N-(3-propan-2-yloxypropyl)acetamide
SMILESCCC(C)c1ccccc1OCC(=O)NCCCOC(C)C
InChIInChI=1S/C18H29NO3/c1-5-15(4)16-9-6-7-10-17(16)22-13-18(20)19-11-8-12-21-14(2)3/h6-7,9-10,14-15H,5,8,11-13H2,1-4H3,(H,19,20)
InChIKeyJSQZIROULWYBGW-UHFFFAOYSA-N
MW307.43 g/mol
LogP3.51
Rot. Bonds10

About 2-(2-butan-2-ylphenoxy)-N-(3-propan-2-yloxypropyl)acetamide

2-(2-butan-2-ylphenoxy)-N-(3-propan-2-yloxypropyl)acetamide (PubChem CID 86907773) has the molecular formula C18H29NO3 and a molecular weight of 307.43 g/mol. Its IUPAC name is 2-(2-butan-2-ylphenoxy)-N-(3-propan-2-yloxypropyl)acetamide.

Molecular Properties

Compound Name2-(2-butan-2-ylphenoxy)-N-(3-propan-2-yloxypropyl)acetamide
PubChem CID86907773
Molecular FormulaC18H29NO3
Molecular Weight307.43 g/mol
Exact Mass307.21
IUPAC Name2-(2-butan-2-ylphenoxy)-N-(3-propan-2-yloxypropyl)acetamide
SMILESCCC(C)c1ccccc1OCC(=O)NCCCOC(C)C
InChIInChI=1S/C18H29NO3/c1-5-15(4)16-9-6-7-10-17(16)22-13-18(20)19-11-8-12-21-14(2)3/h6-7,9-10,14-15H,5,8,11-13H2,1-4H3,(H,19,20)
InChIKeyJSQZIROULWYBGW-UHFFFAOYSA-N
XLogP3.51
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.43
LogP ≤ 53.51
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-aminoethyl)-2-(2-butan-2-ylphenoxy)acetamide
CID 61207891
2-(2-iodophenoxy)-N-(3-propan-2-yloxypropyl)acetamide
CID 55685058
2-(2-aminophenoxy)-N-(4-propan-2-yloxybutyl)acetamide
CID 106006099
2-(2-propan-2-ylphenoxy)-N-[8-[[2-(2-propan-2-ylphenoxy)acetyl]amino]octyl]acetamide
CID 17233327
2-(2-butan-2-ylphenoxy)-N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]acetamide
CID 47000292
N'-[2-(2-butan-2-ylphenoxy)acetyl]hexanehydrazide
CID 4955561
N-(2-amino-2-ethylbutyl)-2-(2-butan-2-ylphenoxy)acetamide;hydrochloride
CID 119642652
2-(2-butan-2-ylphenoxy)-N-[(5-chlorothiophen-2-yl)methyl]acetamide
CID 46449078
N'-[2-[2-[(2S)-butan-2-yl]phenoxy]acetyl]-4-butoxybenzohydrazide
CID 8714581
3-[[2-(2-butan-2-ylphenoxy)acetyl]amino]-N-(3-ethoxypropyl)benzamide
CID 55802015
2-[2-(1-hydroxyethyl)phenoxy]-N-propylacetamide
CID 43503995
2-(2-butan-2-ylphenoxy)-N-(4-butoxyphenyl)acetamide
CID 4939634

Frequently Asked Questions

What is the IUPAC name of 2-(2-butan-2-ylphenoxy)-N-(3-propan-2-yloxypropyl)acetamide?
The IUPAC name of 2-(2-butan-2-ylphenoxy)-N-(3-propan-2-yloxypropyl)acetamide (CID 86907773) is 2-(2-butan-2-ylphenoxy)-N-(3-propan-2-yloxypropyl)acetamide.
What is the SMILES notation for 2-(2-butan-2-ylphenoxy)-N-(3-propan-2-yloxypropyl)acetamide?
The canonical SMILES for 2-(2-butan-2-ylphenoxy)-N-(3-propan-2-yloxypropyl)acetamide is CCC(C)c1ccccc1OCC(=O)NCCCOC(C)C.
What is the InChIKey of 2-(2-butan-2-ylphenoxy)-N-(3-propan-2-yloxypropyl)acetamide?
The InChIKey is JSQZIROULWYBGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO3/c1-5-15(4)16-9-6-7-10-17(16)22-13-18(20)19-11-8-12-21-14(2)3/h6-7,9-10,14-15H,5,8,11-13H2,1-4H3,(H,19,20).
What are the key properties of 2-(2-butan-2-ylphenoxy)-N-(3-propan-2-yloxypropyl)acetamide?
2-(2-butan-2-ylphenoxy)-N-(3-propan-2-yloxypropyl)acetamide has a molecular weight of 307.43 g/mol, XLogP of 3.51, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-butan-2-ylphenoxy)-N-(3-propan-2-yloxypropyl)acetamide is sourced from PubChem (CID 86907773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).