N-[3-(2-hydroxy-3-methoxypropoxy)propyl]acetamide

C9H19NO4 — CID 146474260

IUPACN-[3-(2-hydroxy-3-methoxypropoxy)propyl]acetamide
SMILESCOCC(O)COCCCNC(C)=O
InChIInChI=1S/C9H19NO4/c1-8(11)10-4-3-5-14-7-9(12)6-13-2/h9,12H,3-7H2,1-2H3,(H,10,11)
InChIKeyRVYYNTGSXSOGPF-UHFFFAOYSA-N
MW205.25 g/mol
LogP-0.46
Rot. Bonds8

About N-[3-(2-hydroxy-3-methoxypropoxy)propyl]acetamide

N-[3-(2-hydroxy-3-methoxypropoxy)propyl]acetamide (PubChem CID 146474260) has the molecular formula C9H19NO4 and a molecular weight of 205.25 g/mol. Its IUPAC name is N-[3-(2-hydroxy-3-methoxypropoxy)propyl]acetamide.

Molecular Properties

Compound NameN-[3-(2-hydroxy-3-methoxypropoxy)propyl]acetamide
PubChem CID146474260
Molecular FormulaC9H19NO4
Molecular Weight205.25 g/mol
Exact Mass205.13
IUPAC NameN-[3-(2-hydroxy-3-methoxypropoxy)propyl]acetamide
SMILESCOCC(O)COCCCNC(C)=O
InChIInChI=1S/C9H19NO4/c1-8(11)10-4-3-5-14-7-9(12)6-13-2/h9,12H,3-7H2,1-2H3,(H,10,11)
InChIKeyRVYYNTGSXSOGPF-UHFFFAOYSA-N
XLogP-0.46
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.25
LogP ≤ 5-0.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(2-methoxyethoxy)propyl]acetamide
CID 60668585
ethane;N-[3-(2-methoxyethoxy)propyl]acetamide
CID 177221846
1-methoxy-3-[3-(2-methoxyethoxy)propoxy]propan-2-ol
CID 107508453
N-[4-(3-methoxypropoxy)butyl]acetamide
CID 134356384
N-(3-butoxy-2-hydroxypropyl)acetamide
CID 45119319
(2R)-1-butoxy-3-methoxypropan-2-ol
CID 89035731
N-[3-[3-[3-(hydroxyamino)propoxy]propoxy]propyl]acetamide
CID 20655076
N-[3-(2-ethoxyethoxy)propyl]acetamide
CID 129212456
N'-(2-acetamidoethyl)-N-(3-ethoxypropyl)oxamide
CID 108505337
N-(3-acetamidopropyl)acetamide
CID 5147555
3-(2-hydroxy-3-methoxypropoxy)propanamide
CID 172515689
N-[4-(2-methoxyethylcarbamoylamino)butyl]acetamide
CID 110415978

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-hydroxy-3-methoxypropoxy)propyl]acetamide?
The IUPAC name of N-[3-(2-hydroxy-3-methoxypropoxy)propyl]acetamide (CID 146474260) is N-[3-(2-hydroxy-3-methoxypropoxy)propyl]acetamide.
What is the SMILES notation for N-[3-(2-hydroxy-3-methoxypropoxy)propyl]acetamide?
The canonical SMILES for N-[3-(2-hydroxy-3-methoxypropoxy)propyl]acetamide is COCC(O)COCCCNC(C)=O.
What is the InChIKey of N-[3-(2-hydroxy-3-methoxypropoxy)propyl]acetamide?
The InChIKey is RVYYNTGSXSOGPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO4/c1-8(11)10-4-3-5-14-7-9(12)6-13-2/h9,12H,3-7H2,1-2H3,(H,10,11).
What are the key properties of N-[3-(2-hydroxy-3-methoxypropoxy)propyl]acetamide?
N-[3-(2-hydroxy-3-methoxypropoxy)propyl]acetamide has a molecular weight of 205.25 g/mol, XLogP of -0.46, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-hydroxy-3-methoxypropoxy)propyl]acetamide is sourced from PubChem (CID 146474260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).