3-(oxan-2-ylmethoxy)propanamide

C9H17NO3 — CID 22444989

IUPAC3-(oxan-2-ylmethoxy)propanamide
SMILESNC(=O)CCOCC1CCCCO1
InChIInChI=1S/C9H17NO3/c10-9(11)4-6-12-7-8-3-1-2-5-13-8/h8H,1-7H2,(H2,10,11)
InChIKeySYCUYNYVDJILQL-UHFFFAOYSA-N
MW187.24 g/mol
LogP0.45
Rot. Bonds5

About 3-(oxan-2-ylmethoxy)propanamide

3-(oxan-2-ylmethoxy)propanamide (PubChem CID 22444989) has the molecular formula C9H17NO3 and a molecular weight of 187.24 g/mol. Its IUPAC name is 3-(oxan-2-ylmethoxy)propanamide.

Molecular Properties

Compound Name3-(oxan-2-ylmethoxy)propanamide
PubChem CID22444989
Molecular FormulaC9H17NO3
Molecular Weight187.24 g/mol
Exact Mass187.12
IUPAC Name3-(oxan-2-ylmethoxy)propanamide
SMILESNC(=O)CCOCC1CCCCO1
InChIInChI=1S/C9H17NO3/c10-9(11)4-6-12-7-8-3-1-2-5-13-8/h8H,1-7H2,(H2,10,11)
InChIKeySYCUYNYVDJILQL-UHFFFAOYSA-N
XLogP0.45
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.24
LogP ≤ 50.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

oxan-2-ylmethyl 3-(oxolan-2-ylmethoxy)propanoate
CID 78885532
2-amino-4-(oxan-2-ylmethoxy)butanamide
CID 63038916
2-[[(2R)-oxan-2-yl]methoxy]ethanol
CID 91298433
2-[5-(oxepan-2-ylmethoxy)pentoxymethyl]oxepane
CID 58879072
3-(oxan-2-ylmethoxy)propan-1-ol
CID 63054995
N-(3-aminopropyl)-N-methyl-3-(oxan-2-ylmethoxy)propanamide
CID 43254238
N-[2-(aminomethyl)cyclohexyl]-3-(oxolan-2-ylmethoxy)propanamide
CID 119609391
3-(cyclohexylmethoxy)propanamide
CID 22444983
oxan-2-ylmethyl 3-aminopropanoate
CID 61279646
6-(oxolan-2-ylmethoxy)hexan-3-one
CID 106801896
2-[2-(oxan-2-ylmethoxy)ethyl]cyclopentan-1-ol
CID 79564499
4-(oxan-2-ylmethoxy)-2-(propylamino)butanamide
CID 55144151

Frequently Asked Questions

What is the IUPAC name of 3-(oxan-2-ylmethoxy)propanamide?
The IUPAC name of 3-(oxan-2-ylmethoxy)propanamide (CID 22444989) is 3-(oxan-2-ylmethoxy)propanamide.
What is the SMILES notation for 3-(oxan-2-ylmethoxy)propanamide?
The canonical SMILES for 3-(oxan-2-ylmethoxy)propanamide is NC(=O)CCOCC1CCCCO1.
What is the InChIKey of 3-(oxan-2-ylmethoxy)propanamide?
The InChIKey is SYCUYNYVDJILQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO3/c10-9(11)4-6-12-7-8-3-1-2-5-13-8/h8H,1-7H2,(H2,10,11).
What are the key properties of 3-(oxan-2-ylmethoxy)propanamide?
3-(oxan-2-ylmethoxy)propanamide has a molecular weight of 187.24 g/mol, XLogP of 0.45, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(oxan-2-ylmethoxy)propanamide is sourced from PubChem (CID 22444989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).