3-hydroxy-N-methyl-3-pentoxypropanamide

C9H19NO3 — CID 87180448

IUPAC3-hydroxy-N-methyl-3-pentoxypropanamide
SMILESCCCCCOC(O)CC(=O)NC
InChIInChI=1S/C9H19NO3/c1-3-4-5-6-13-9(12)7-8(11)10-2/h9,12H,3-7H2,1-2H3,(H,10,11)
InChIKeyRKHVIWMFIFVDGJ-UHFFFAOYSA-N
MW189.25 g/mol
LogP0.65
Rot. Bonds7

About 3-hydroxy-N-methyl-3-pentoxypropanamide

3-hydroxy-N-methyl-3-pentoxypropanamide (PubChem CID 87180448) has the molecular formula C9H19NO3 and a molecular weight of 189.25 g/mol. Its IUPAC name is 3-hydroxy-N-methyl-3-pentoxypropanamide.

Molecular Properties

Compound Name3-hydroxy-N-methyl-3-pentoxypropanamide
PubChem CID87180448
Molecular FormulaC9H19NO3
Molecular Weight189.25 g/mol
Exact Mass189.14
IUPAC Name3-hydroxy-N-methyl-3-pentoxypropanamide
SMILESCCCCCOC(O)CC(=O)NC
InChIInChI=1S/C9H19NO3/c1-3-4-5-6-13-9(12)7-8(11)10-2/h9,12H,3-7H2,1-2H3,(H,10,11)
InChIKeyRKHVIWMFIFVDGJ-UHFFFAOYSA-N
XLogP0.65
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.25
LogP ≤ 50.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'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

1-undecoxypropan-1-ol
CID 139971923
1-heptoxypropan-1-ol
CID 19598529
1-undecoxybutan-1-ol
CID 139971924
2-dodecoxy-2-hydroxyethanesulfonic acid
CID 141033814
dimethyl 3-pentoxypentanedioate
CID 87950297
3-chloro-1-pentoxypropan-1-ol
CID 174943404
icosoxymethanediol
CID 175975847
1-pentoxyethanol
CID 19598527
(2R,3R)-3-octoxybutan-2-ol
CID 54496266
4-pentoxypentan-2-one
CID 64698356
1-icosoxybutane-1,4-diol
CID 175387447
1-(4-hexoxybutoxy)butan-1-ol
CID 141002472

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-N-methyl-3-pentoxypropanamide?
The IUPAC name of 3-hydroxy-N-methyl-3-pentoxypropanamide (CID 87180448) is 3-hydroxy-N-methyl-3-pentoxypropanamide.
What is the SMILES notation for 3-hydroxy-N-methyl-3-pentoxypropanamide?
The canonical SMILES for 3-hydroxy-N-methyl-3-pentoxypropanamide is CCCCCOC(O)CC(=O)NC.
What is the InChIKey of 3-hydroxy-N-methyl-3-pentoxypropanamide?
The InChIKey is RKHVIWMFIFVDGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO3/c1-3-4-5-6-13-9(12)7-8(11)10-2/h9,12H,3-7H2,1-2H3,(H,10,11).
What are the key properties of 3-hydroxy-N-methyl-3-pentoxypropanamide?
3-hydroxy-N-methyl-3-pentoxypropanamide has a molecular weight of 189.25 g/mol, XLogP of 0.65, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-N-methyl-3-pentoxypropanamide is sourced from PubChem (CID 87180448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).