N-(pentoxymethyl)formamide

C7H15NO2 — CID 174736393

IUPACN-(pentoxymethyl)formamide
SMILESCCCCCOCNC=O
InChIInChI=1S/C7H15NO2/c1-2-3-4-5-10-7-8-6-9/h6H,2-5,7H2,1H3,(H,8,9)
InChIKeyQFYAUSVHSLMVMD-UHFFFAOYSA-N
MW145.20 g/mol
LogP0.90
Rot. Bonds7

About N-(pentoxymethyl)formamide

N-(pentoxymethyl)formamide (PubChem CID 174736393) has the molecular formula C7H15NO2 and a molecular weight of 145.20 g/mol. Its IUPAC name is N-(pentoxymethyl)formamide.

Molecular Properties

Compound NameN-(pentoxymethyl)formamide
PubChem CID174736393
Molecular FormulaC7H15NO2
Molecular Weight145.20 g/mol
Exact Mass145.11
IUPAC NameN-(pentoxymethyl)formamide
SMILESCCCCCOCNC=O
InChIInChI=1S/C7H15NO2/c1-2-3-4-5-10-7-8-6-9/h6H,2-5,7H2,1H3,(H,8,9)
InChIKeyQFYAUSVHSLMVMD-UHFFFAOYSA-N
XLogP0.90
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.20
LogP ≤ 50.90
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'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

N-[2-[2-(2-pentoxyethoxy)ethoxy]ethyl]formamide
CID 156795114
N-(heptoxymethyl)ethanamine
CID 123451436
N-methyl-1-pentoxymethanamine
CID 88850300
N-(3-decoxy-2-ethoxypropyl)formamide
CID 156583393
3-heptoxypropanal
CID 59708059
CID 159860963
CID 159860963
N-tetracosylformamide
CID 54077607
ethane;N-pentylformamide
CID 145350301
N-pentacosylformamide
CID 88723962
1-pentoxy-N-propoxymethanamine
CID 138714447
1-heptacosoxyheptacosane
CID 57287180
1-(6-octadecoxyhexoxy)octadecane
CID 139884769

Frequently Asked Questions

What is the IUPAC name of N-(pentoxymethyl)formamide?
The IUPAC name of N-(pentoxymethyl)formamide (CID 174736393) is N-(pentoxymethyl)formamide.
What is the SMILES notation for N-(pentoxymethyl)formamide?
The canonical SMILES for N-(pentoxymethyl)formamide is CCCCCOCNC=O.
What is the InChIKey of N-(pentoxymethyl)formamide?
The InChIKey is QFYAUSVHSLMVMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO2/c1-2-3-4-5-10-7-8-6-9/h6H,2-5,7H2,1H3,(H,8,9).
What are the key properties of N-(pentoxymethyl)formamide?
N-(pentoxymethyl)formamide has a molecular weight of 145.20 g/mol, XLogP of 0.90, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(pentoxymethyl)formamide is sourced from PubChem (CID 174736393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).