N-[2-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]ethyl]-2-(2-formyl-3-methylphenoxy)acetamide

C22H35NO7 — CID 167136638

IUPACN-[2-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]ethyl]-2-(2-formyl-3-methylphenoxy)acetamide
SMILESCCCCOCCOCCOCCOCCNC(=O)COc1cccc(C)c1C=O
InChIInChI=1S/C22H35NO7/c1-3-4-9-26-11-13-28-15-16-29-14-12-27-10-8-23-22(25)18-30-21-7-5-6-19(2)20(21)17-24/h5-7,17H,3-4,8-16,18H2,1-2H3,(H,23,25)
InChIKeyXAQIFSDPDFIKFB-UHFFFAOYSA-N
MW425.52 g/mol
LogP2.17
Rot. Bonds19

About N-[2-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]ethyl]-2-(2-formyl-3-methylphenoxy)acetamide

N-[2-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]ethyl]-2-(2-formyl-3-methylphenoxy)acetamide (PubChem CID 167136638) has the molecular formula C22H35NO7 and a molecular weight of 425.52 g/mol. Its IUPAC name is N-[2-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]ethyl]-2-(2-formyl-3-methylphenoxy)acetamide.

Molecular Properties

Compound NameN-[2-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]ethyl]-2-(2-formyl-3-methylphenoxy)acetamide
PubChem CID167136638
Molecular FormulaC22H35NO7
Molecular Weight425.52 g/mol
Exact Mass425.24
IUPAC NameN-[2-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]ethyl]-2-(2-formyl-3-methylphenoxy)acetamide
SMILESCCCCOCCOCCOCCOCCNC(=O)COc1cccc(C)c1C=O
InChIInChI=1S/C22H35NO7/c1-3-4-9-26-11-13-28-15-16-29-14-12-27-10-8-23-22(25)18-30-21-7-5-6-19(2)20(21)17-24/h5-7,17H,3-4,8-16,18H2,1-2H3,(H,23,25)
InChIKeyXAQIFSDPDFIKFB-UHFFFAOYSA-N
XLogP2.17
TPSA92.32 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds19
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.52
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

2-(2,3-diformylphenoxy)-N-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethyl]acetamide
CID 178004235
N-[2-(2-hydroxyethoxy)ethyl]-2-(2-methylphenoxy)acetamide
CID 60654502
2-(2-methylphenoxy)-N-pentylacetamide
CID 110756249
2-(2-amino-3-methylphenoxy)-N-butylacetamide
CID 54956172
N-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]-2-methoxyacetamide
CID 155715449
2-butoxy-N-[2-[2-(2-oxoethoxy)ethoxy]ethyl]acetamide
CID 172626027
N-[2-(2-butoxyethoxy)ethyl]propanamide
CID 153105198
2-butoxy-N-[2-(2-fluoro-3-methylphenoxy)ethyl]ethanamine
CID 107661426
N-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]-2-methoxyacetamide;ethane;methane
CID 178085327
2-(2-benzylphenoxy)-N-(3-ethoxypropyl)acetamide
CID 78760776
N'-[2-(2,3-dimethylphenoxy)acetyl]hexanehydrazide
CID 17343961
2-(2,6-dimethylphenoxy)-N-[2-(2-methylprop-2-enoxy)ethyl]acetamide
CID 115699812

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]ethyl]-2-(2-formyl-3-methylphenoxy)acetamide?
The IUPAC name of N-[2-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]ethyl]-2-(2-formyl-3-methylphenoxy)acetamide (CID 167136638) is N-[2-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]ethyl]-2-(2-formyl-3-methylphenoxy)acetamide.
What is the SMILES notation for N-[2-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]ethyl]-2-(2-formyl-3-methylphenoxy)acetamide?
The canonical SMILES for N-[2-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]ethyl]-2-(2-formyl-3-methylphenoxy)acetamide is CCCCOCCOCCOCCOCCNC(=O)COc1cccc(C)c1C=O.
What is the InChIKey of N-[2-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]ethyl]-2-(2-formyl-3-methylphenoxy)acetamide?
The InChIKey is XAQIFSDPDFIKFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H35NO7/c1-3-4-9-26-11-13-28-15-16-29-14-12-27-10-8-23-22(25)18-30-21-7-5-6-19(2)20(21)17-24/h5-7,17H,3-4,8-16,18H2,1-2H3,(H,23,25).
What are the key properties of N-[2-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]ethyl]-2-(2-formyl-3-methylphenoxy)acetamide?
N-[2-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]ethyl]-2-(2-formyl-3-methylphenoxy)acetamide has a molecular weight of 425.52 g/mol, XLogP of 2.17, 19 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]ethyl]-2-(2-formyl-3-methylphenoxy)acetamide is sourced from PubChem (CID 167136638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).