2-pentoxypropanamide

C8H17NO2 — CID 62900296

IUPAC2-pentoxypropanamide
SMILESCCCCCOC(C)C(N)=O
InChIInChI=1S/C8H17NO2/c1-3-4-5-6-11-7(2)8(9)10/h7H,3-6H2,1-2H3,(H2,9,10)
InChIKeyDRXWYAMKPPQNQT-UHFFFAOYSA-N
MW159.23 g/mol
LogP1.07
Rot. Bonds6

About 2-pentoxypropanamide

2-pentoxypropanamide (PubChem CID 62900296) has the molecular formula C8H17NO2 and a molecular weight of 159.23 g/mol. Its IUPAC name is 2-pentoxypropanamide.

Molecular Properties

Compound Name2-pentoxypropanamide
PubChem CID62900296
Molecular FormulaC8H17NO2
Molecular Weight159.23 g/mol
Exact Mass159.13
IUPAC Name2-pentoxypropanamide
SMILESCCCCCOC(C)C(N)=O
InChIInChI=1S/C8H17NO2/c1-3-4-5-6-11-7(2)8(9)10/h7H,3-6H2,1-2H3,(H2,9,10)
InChIKeyDRXWYAMKPPQNQT-UHFFFAOYSA-N
XLogP1.07
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.23
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

ethyl 2-nonoxypropanoate
CID 88680880
3-pentoxybutan-2-one
CID 43801294
methyl (2S)-2-hexoxypropanoate
CID 103337819
methyl 2-dodecoxypropanoate
CID 86244254
(2S)-2-heptoxypropanoic acid
CID 22301798
tert-butyl 2-heptoxypropanoate
CID 66337184
heptyl 2-ethoxypropanoate
CID 175702782
2-methylpropyl pentyl carbonate;propane
CID 159689865
2-dodecoxy-4-hydroxyoctan-3-one
CID 88941366
3-methyl-4-pentoxypent-2-ene
CID 57157343
1-(1-butoxyethoxy)butane;bis(carbamothioic S-acid)
CID 87357285
sodium 2-butoxypropanoate
CID 141029680

Frequently Asked Questions

What is the IUPAC name of 2-pentoxypropanamide?
The IUPAC name of 2-pentoxypropanamide (CID 62900296) is 2-pentoxypropanamide.
What is the SMILES notation for 2-pentoxypropanamide?
The canonical SMILES for 2-pentoxypropanamide is CCCCCOC(C)C(N)=O.
What is the InChIKey of 2-pentoxypropanamide?
The InChIKey is DRXWYAMKPPQNQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO2/c1-3-4-5-6-11-7(2)8(9)10/h7H,3-6H2,1-2H3,(H2,9,10).
What are the key properties of 2-pentoxypropanamide?
2-pentoxypropanamide has a molecular weight of 159.23 g/mol, XLogP of 1.07, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pentoxypropanamide is sourced from PubChem (CID 62900296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).