N-(3-ethoxypropyl)formamide

C6H13NO2 — CID 54020778

IUPACN-(3-ethoxypropyl)formamide
SMILESCCOCCCNC=O
InChIInChI=1S/C6H13NO2/c1-2-9-5-3-4-7-6-8/h6H,2-5H2,1H3,(H,7,8)
InChIKeyUITVKDIXLGYSEM-UHFFFAOYSA-N
MW131.18 g/mol
LogP0.16
Rot. Bonds6

About N-(3-ethoxypropyl)formamide

N-(3-ethoxypropyl)formamide (PubChem CID 54020778) has the molecular formula C6H13NO2 and a molecular weight of 131.18 g/mol. Its IUPAC name is N-(3-ethoxypropyl)formamide.

Molecular Properties

Compound NameN-(3-ethoxypropyl)formamide
PubChem CID54020778
Molecular FormulaC6H13NO2
Molecular Weight131.18 g/mol
Exact Mass131.09
IUPAC NameN-(3-ethoxypropyl)formamide
SMILESCCOCCCNC=O
InChIInChI=1S/C6H13NO2/c1-2-9-5-3-4-7-6-8/h6H,2-5H2,1H3,(H,7,8)
InChIKeyUITVKDIXLGYSEM-UHFFFAOYSA-N
XLogP0.16
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.18
LogP ≤ 50.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(3-ethoxypropyl)formamide?
The IUPAC name of N-(3-ethoxypropyl)formamide (CID 54020778) is N-(3-ethoxypropyl)formamide.
What is the SMILES notation for N-(3-ethoxypropyl)formamide?
The canonical SMILES for N-(3-ethoxypropyl)formamide is CCOCCCNC=O.
What is the InChIKey of N-(3-ethoxypropyl)formamide?
The InChIKey is UITVKDIXLGYSEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO2/c1-2-9-5-3-4-7-6-8/h6H,2-5H2,1H3,(H,7,8).
What are the key properties of N-(3-ethoxypropyl)formamide?
N-(3-ethoxypropyl)formamide has a molecular weight of 131.18 g/mol, XLogP of 0.16, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethoxypropyl)formamide is sourced from PubChem (CID 54020778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).