N-(3-hydroxypropyl)-2-(oxan-4-yl)propanamide

C11H21NO3 — CID 109468079

IUPACN-(3-hydroxypropyl)-2-(oxan-4-yl)propanamide
SMILESCC(C(=O)NCCCO)C1CCOCC1
InChIInChI=1S/C11H21NO3/c1-9(10-3-7-15-8-4-10)11(14)12-5-2-6-13/h9-10,13H,2-8H2,1H3,(H,12,14)
InChIKeyRAOYIHDTBAVPKL-UHFFFAOYSA-N
MW215.29 g/mol
LogP0.55
Rot. Bonds5

About N-(3-hydroxypropyl)-2-(oxan-4-yl)propanamide

N-(3-hydroxypropyl)-2-(oxan-4-yl)propanamide (PubChem CID 109468079) has the molecular formula C11H21NO3 and a molecular weight of 215.29 g/mol. Its IUPAC name is N-(3-hydroxypropyl)-2-(oxan-4-yl)propanamide.

Molecular Properties

Compound NameN-(3-hydroxypropyl)-2-(oxan-4-yl)propanamide
PubChem CID109468079
Molecular FormulaC11H21NO3
Molecular Weight215.29 g/mol
Exact Mass215.15
IUPAC NameN-(3-hydroxypropyl)-2-(oxan-4-yl)propanamide
SMILESCC(C(=O)NCCCO)C1CCOCC1
InChIInChI=1S/C11H21NO3/c1-9(10-3-7-15-8-4-10)11(14)12-5-2-6-13/h9-10,13H,2-8H2,1H3,(H,12,14)
InChIKeyRAOYIHDTBAVPKL-UHFFFAOYSA-N
XLogP0.55
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.29
LogP ≤ 50.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-cyclopropyl-N-(3-hydroxypropyl)propanamide
CID 81449535
N-[2-ethyl-2-(hydroxymethyl)butyl]-2-(oxan-4-yl)propanamide
CID 109481380
N-(2-bromoethyl)-2-cyclopropylpropanamide
CID 83154146
N-(2-hydroxy-2,3-dimethylpentyl)-2-(oxan-4-yl)propanamide
CID 109476485
N-butyl-2-cyclopentylpropanamide
CID 173178636
N-(4-chloropentyl)-2-cyclopropylpropanamide
CID 106129419
5-(2-cyclopropylpropanoylamino)pentanoic acid
CID 83146562
2-cyclopropyl-N-pent-4-ynylpropanamide
CID 103721944
2-methyl-2-[2-(oxan-4-yl)propanoylamino]butanoic acid
CID 120686254
N-butyl-2-(oxan-4-ylmethylamino)propanamide
CID 62351557
2-amino-N-(3-methylsulfanylpropyl)-2-(oxan-4-yl)acetamide
CID 120785888
N-(5-amino-5-sulfanylidenepentyl)-2-cyclopropylpropanamide
CID 83155013

Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxypropyl)-2-(oxan-4-yl)propanamide?
The IUPAC name of N-(3-hydroxypropyl)-2-(oxan-4-yl)propanamide (CID 109468079) is N-(3-hydroxypropyl)-2-(oxan-4-yl)propanamide.
What is the SMILES notation for N-(3-hydroxypropyl)-2-(oxan-4-yl)propanamide?
The canonical SMILES for N-(3-hydroxypropyl)-2-(oxan-4-yl)propanamide is CC(C(=O)NCCCO)C1CCOCC1.
What is the InChIKey of N-(3-hydroxypropyl)-2-(oxan-4-yl)propanamide?
The InChIKey is RAOYIHDTBAVPKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO3/c1-9(10-3-7-15-8-4-10)11(14)12-5-2-6-13/h9-10,13H,2-8H2,1H3,(H,12,14).
What are the key properties of N-(3-hydroxypropyl)-2-(oxan-4-yl)propanamide?
N-(3-hydroxypropyl)-2-(oxan-4-yl)propanamide has a molecular weight of 215.29 g/mol, XLogP of 0.55, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxypropyl)-2-(oxan-4-yl)propanamide is sourced from PubChem (CID 109468079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).