N-[2-[2-(2-pentoxyethoxy)ethoxy]ethyl]formamide

C12H25NO4 — CID 156795114

IUPACN-[2-[2-(2-pentoxyethoxy)ethoxy]ethyl]formamide
SMILESCCCCCOCCOCCOCCNC=O
InChIInChI=1S/C12H25NO4/c1-2-3-4-6-15-8-10-17-11-9-16-7-5-13-12-14/h12H,2-11H2,1H3,(H,13,14)
InChIKeyUGPWADGWVFIXMJ-UHFFFAOYSA-N
MW247.33 g/mol
LogP0.97
Rot. Bonds14

About N-[2-[2-(2-pentoxyethoxy)ethoxy]ethyl]formamide

N-[2-[2-(2-pentoxyethoxy)ethoxy]ethyl]formamide (PubChem CID 156795114) has the molecular formula C12H25NO4 and a molecular weight of 247.33 g/mol. Its IUPAC name is N-[2-[2-(2-pentoxyethoxy)ethoxy]ethyl]formamide.

Molecular Properties

Compound NameN-[2-[2-(2-pentoxyethoxy)ethoxy]ethyl]formamide
PubChem CID156795114
Molecular FormulaC12H25NO4
Molecular Weight247.33 g/mol
Exact Mass247.18
IUPAC NameN-[2-[2-(2-pentoxyethoxy)ethoxy]ethyl]formamide
SMILESCCCCCOCCOCCOCCNC=O
InChIInChI=1S/C12H25NO4/c1-2-3-4-6-15-8-10-17-11-9-16-7-5-13-12-14/h12H,2-11H2,1H3,(H,13,14)
InChIKeyUGPWADGWVFIXMJ-UHFFFAOYSA-N
XLogP0.97
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.33
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

N-(pentoxymethyl)formamide
CID 174736393
ethane;5-(2-formamidoethoxy)-N-[2-[2-(2-oxopropoxy)ethoxy]ethyl]pentanamide;pentane
CID 156865396
ethane;N-pentylformamide
CID 145350301
N-tetracosylformamide
CID 54077607
N-pentacosylformamide
CID 88723962
2-octadecoxy-N-(2-octadecoxyethyl)ethanamine;hydrochloride
CID 175378194
N-(2-pentoxyethyl)butan-1-amine
CID 54396114
N-[3-[2-(methylamino)ethoxy]propyl]formamide
CID 171561109
5-pentoxy-N-propylpentan-1-amine
CID 62451179
N-(2-butoxyethyl)heptan-1-amine
CID 61168932
N-(2-undecoxyethyl)propan-1-amine
CID 22091510
3-heptoxypropanal
CID 59708059

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(2-pentoxyethoxy)ethoxy]ethyl]formamide?
The IUPAC name of N-[2-[2-(2-pentoxyethoxy)ethoxy]ethyl]formamide (CID 156795114) is N-[2-[2-(2-pentoxyethoxy)ethoxy]ethyl]formamide.
What is the SMILES notation for N-[2-[2-(2-pentoxyethoxy)ethoxy]ethyl]formamide?
The canonical SMILES for N-[2-[2-(2-pentoxyethoxy)ethoxy]ethyl]formamide is CCCCCOCCOCCOCCNC=O.
What is the InChIKey of N-[2-[2-(2-pentoxyethoxy)ethoxy]ethyl]formamide?
The InChIKey is UGPWADGWVFIXMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO4/c1-2-3-4-6-15-8-10-17-11-9-16-7-5-13-12-14/h12H,2-11H2,1H3,(H,13,14).
What are the key properties of N-[2-[2-(2-pentoxyethoxy)ethoxy]ethyl]formamide?
N-[2-[2-(2-pentoxyethoxy)ethoxy]ethyl]formamide has a molecular weight of 247.33 g/mol, XLogP of 0.97, 14 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(2-pentoxyethoxy)ethoxy]ethyl]formamide is sourced from PubChem (CID 156795114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).