ethane;2-[4-(2-phenoxyethoxy)butoxy]acetamide

C18H33NO4 — CID 142386396

IUPACethane;2-[4-(2-phenoxyethoxy)butoxy]acetamide
SMILESCC.CC.NC(=O)COCCCCOCCOc1ccccc1
InChIInChI=1S/C14H21NO4.2C2H6/c15-14(16)12-18-9-5-4-8-17-10-11-19-13-6-2-1-3-7-13;2*1-2/h1-3,6-7H,4-5,8-12H2,(H2,15,16);2*1-2H3
InChIKeyBRUKRNFGJKICMB-UHFFFAOYSA-N
MW327.47 g/mol
LogP3.42
Rot. Bonds11

About ethane;2-[4-(2-phenoxyethoxy)butoxy]acetamide

ethane;2-[4-(2-phenoxyethoxy)butoxy]acetamide (PubChem CID 142386396) has the molecular formula C18H33NO4 and a molecular weight of 327.47 g/mol. Its IUPAC name is ethane;2-[4-(2-phenoxyethoxy)butoxy]acetamide.

Molecular Properties

Compound Nameethane;2-[4-(2-phenoxyethoxy)butoxy]acetamide
PubChem CID142386396
Molecular FormulaC18H33NO4
Molecular Weight327.47 g/mol
Exact Mass327.24
IUPAC Nameethane;2-[4-(2-phenoxyethoxy)butoxy]acetamide
SMILESCC.CC.NC(=O)COCCCCOCCOc1ccccc1
InChIInChI=1S/C14H21NO4.2C2H6/c15-14(16)12-18-9-5-4-8-17-10-11-19-13-6-2-1-3-7-13;2*1-2/h1-3,6-7H,4-5,8-12H2,(H2,15,16);2*1-2H3
InChIKeyBRUKRNFGJKICMB-UHFFFAOYSA-N
XLogP3.42
TPSA70.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.47
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(4-phenoxybutoxy)acetamide
CID 122703944
2-(7-phenoxyheptoxy)acetamide
CID 153330522
butyl 2-(2-phenoxyethoxy)acetate
CID 54941982
2-pentoxyethoxybenzene
CID 54431229
2-butoxyethyl acetate;2-phenoxyethyl acetate
CID 159790412
2-[2-[2-[2-[2-(2-octoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxybenzene
CID 22762214
2-dodecoxyethoxybenzene
CID 67831231
2-(2-phenoxyethoxy)ethanethioamide
CID 24693091
4-(4-phenoxybutoxy)butoxybenzene
CID 22399981
ethane;2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxybenzene
CID 154643071
2-(2-phenoxyethoxy)ethyl octadecanoate
CID 18459535
3-[2-(2-phenoxyethoxy)ethoxy]propan-1-amine
CID 21297450

Frequently Asked Questions

What is the IUPAC name of ethane;2-[4-(2-phenoxyethoxy)butoxy]acetamide?
The IUPAC name of ethane;2-[4-(2-phenoxyethoxy)butoxy]acetamide (CID 142386396) is ethane;2-[4-(2-phenoxyethoxy)butoxy]acetamide.
What is the SMILES notation for ethane;2-[4-(2-phenoxyethoxy)butoxy]acetamide?
The canonical SMILES for ethane;2-[4-(2-phenoxyethoxy)butoxy]acetamide is CC.CC.NC(=O)COCCCCOCCOc1ccccc1.
What is the InChIKey of ethane;2-[4-(2-phenoxyethoxy)butoxy]acetamide?
The InChIKey is BRUKRNFGJKICMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO4.2C2H6/c15-14(16)12-18-9-5-4-8-17-10-11-19-13-6-2-1-3-7-13;2*1-2/h1-3,6-7H,4-5,8-12H2,(H2,15,16);2*1-2H3.
What are the key properties of ethane;2-[4-(2-phenoxyethoxy)butoxy]acetamide?
ethane;2-[4-(2-phenoxyethoxy)butoxy]acetamide has a molecular weight of 327.47 g/mol, XLogP of 3.42, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-[4-(2-phenoxyethoxy)butoxy]acetamide is sourced from PubChem (CID 142386396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).