ethane;N-[2-[2-[2-[2-(3-methylbutoxy)ethoxy]ethoxy]ethoxy]ethyl]propanamide

C20H45NO5 — CID 171565273

IUPACethane;N-[2-[2-[2-[2-(3-methylbutoxy)ethoxy]ethoxy]ethoxy]ethyl]propanamide
SMILESCC.CC.CCC(=O)NCCOCCOCCOCCOCCC(C)C
InChIInChI=1S/C16H33NO5.2C2H6/c1-4-16(18)17-6-8-20-10-12-22-14-13-21-11-9-19-7-5-15(2)3;2*1-2/h15H,4-14H2,1-3H3,(H,17,18);2*1-2H3
InChIKeyJFJZHFWTPFLAKJ-UHFFFAOYSA-N
MW379.58 g/mol
LogP3.68
Rot. Bonds16

About ethane;N-[2-[2-[2-[2-(3-methylbutoxy)ethoxy]ethoxy]ethoxy]ethyl]propanamide

ethane;N-[2-[2-[2-[2-(3-methylbutoxy)ethoxy]ethoxy]ethoxy]ethyl]propanamide (PubChem CID 171565273) has the molecular formula C20H45NO5 and a molecular weight of 379.58 g/mol. Its IUPAC name is ethane;N-[2-[2-[2-[2-(3-methylbutoxy)ethoxy]ethoxy]ethoxy]ethyl]propanamide.

Molecular Properties

Compound Nameethane;N-[2-[2-[2-[2-(3-methylbutoxy)ethoxy]ethoxy]ethoxy]ethyl]propanamide
PubChem CID171565273
Molecular FormulaC20H45NO5
Molecular Weight379.58 g/mol
Exact Mass379.33
IUPAC Nameethane;N-[2-[2-[2-[2-(3-methylbutoxy)ethoxy]ethoxy]ethoxy]ethyl]propanamide
SMILESCC.CC.CCC(=O)NCCOCCOCCOCCOCCC(C)C
InChIInChI=1S/C16H33NO5.2C2H6/c1-4-16(18)17-6-8-20-10-12-22-14-13-21-11-9-19-7-5-15(2)3;2*1-2/h15H,4-14H2,1-3H3,(H,17,18);2*1-2H3
InChIKeyJFJZHFWTPFLAKJ-UHFFFAOYSA-N
XLogP3.68
TPSA66.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds16
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.58
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-amino-N-[2-[2-(3-methylbutoxy)ethoxy]ethyl]acetamide;ethane
CID 155748733
N-[2-[2-(3-methylbutoxy)ethoxy]ethyl]-6-oxooctanamide
CID 162766798
N-[2-[2-[2-(2-propan-2-yloxyethoxy)ethoxy]ethoxy]ethyl]propanamide
CID 166555863
N-[2-[2-(2-bromoethoxy)ethoxy]ethyl]propanamide
CID 154729990
N-[2-(2-methylpropoxy)ethyl]propanamide
CID 115588549
ethene;N-[2-[2-(3-methylbutoxy)ethoxy]ethyl]butanamide;molecular hydrogen
CID 176934514
N-[2-[2-(2-ethoxyethoxy)ethoxy]ethyl]propanamide
CID 122664379
N-[2-[2-[2-[2-(3-methylbutoxy)ethoxy]ethoxy]ethoxy]ethyl]-2-(2-methylpropylsulfanyl)acetamide
CID 156547182
N-[2-(2-butoxyethoxy)ethyl]propanamide
CID 153105198
N-[2-[2-[2-(ethylamino)ethoxy]ethoxy]ethyl]propanamide
CID 147425516
N-[2-[2-(3-methylbutoxy)ethoxy]ethyl]pent-4-ynamide
CID 176933394
3-methyl-N-[2-[2-[2-[2-(3-methylbutanoylamino)ethoxy]ethoxy]ethoxy]ethyl]butanamide
CID 166662987

Frequently Asked Questions

What is the IUPAC name of ethane;N-[2-[2-[2-[2-(3-methylbutoxy)ethoxy]ethoxy]ethoxy]ethyl]propanamide?
The IUPAC name of ethane;N-[2-[2-[2-[2-(3-methylbutoxy)ethoxy]ethoxy]ethoxy]ethyl]propanamide (CID 171565273) is ethane;N-[2-[2-[2-[2-(3-methylbutoxy)ethoxy]ethoxy]ethoxy]ethyl]propanamide.
What is the SMILES notation for ethane;N-[2-[2-[2-[2-(3-methylbutoxy)ethoxy]ethoxy]ethoxy]ethyl]propanamide?
The canonical SMILES for ethane;N-[2-[2-[2-[2-(3-methylbutoxy)ethoxy]ethoxy]ethoxy]ethyl]propanamide is CC.CC.CCC(=O)NCCOCCOCCOCCOCCC(C)C.
What is the InChIKey of ethane;N-[2-[2-[2-[2-(3-methylbutoxy)ethoxy]ethoxy]ethoxy]ethyl]propanamide?
The InChIKey is JFJZHFWTPFLAKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33NO5.2C2H6/c1-4-16(18)17-6-8-20-10-12-22-14-13-21-11-9-19-7-5-15(2)3;2*1-2/h15H,4-14H2,1-3H3,(H,17,18);2*1-2H3.
What are the key properties of ethane;N-[2-[2-[2-[2-(3-methylbutoxy)ethoxy]ethoxy]ethoxy]ethyl]propanamide?
ethane;N-[2-[2-[2-[2-(3-methylbutoxy)ethoxy]ethoxy]ethoxy]ethyl]propanamide has a molecular weight of 379.58 g/mol, XLogP of 3.68, 16 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-[2-[2-[2-[2-(3-methylbutoxy)ethoxy]ethoxy]ethoxy]ethyl]propanamide is sourced from PubChem (CID 171565273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).