N-[(3-hydroxyoxolan-3-yl)methyl]-3-propoxypropanamide

C11H21NO4 — CID 106102852

IUPACN-[(3-hydroxyoxolan-3-yl)methyl]-3-propoxypropanamide
SMILESCCCOCCC(=O)NCC1(O)CCOC1
InChIInChI=1S/C11H21NO4/c1-2-5-15-6-3-10(13)12-8-11(14)4-7-16-9-11/h14H,2-9H2,1H3,(H,12,13)
InChIKeyQVWVBMGPIAMGTK-UHFFFAOYSA-N
MW231.29 g/mol
LogP0.07
Rot. Bonds7

About N-[(3-hydroxyoxolan-3-yl)methyl]-3-propoxypropanamide

N-[(3-hydroxyoxolan-3-yl)methyl]-3-propoxypropanamide (PubChem CID 106102852) has the molecular formula C11H21NO4 and a molecular weight of 231.29 g/mol. Its IUPAC name is N-[(3-hydroxyoxolan-3-yl)methyl]-3-propoxypropanamide.

Molecular Properties

Compound NameN-[(3-hydroxyoxolan-3-yl)methyl]-3-propoxypropanamide
PubChem CID106102852
Molecular FormulaC11H21NO4
Molecular Weight231.29 g/mol
Exact Mass231.15
IUPAC NameN-[(3-hydroxyoxolan-3-yl)methyl]-3-propoxypropanamide
SMILESCCCOCCC(=O)NCC1(O)CCOC1
InChIInChI=1S/C11H21NO4/c1-2-5-15-6-3-10(13)12-8-11(14)4-7-16-9-11/h14H,2-9H2,1H3,(H,12,13)
InChIKeyQVWVBMGPIAMGTK-UHFFFAOYSA-N
XLogP0.07
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.29
LogP ≤ 50.07
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-[(1-hydroxycyclohexyl)methyl]-3-propoxypropanamide
CID 65114001
5-hydroxy-N-[(3-hydroxyoxolan-3-yl)methyl]pentanamide
CID 106103197
N-[(3-hydroxyoxolan-3-yl)methyl]-3-piperidin-4-yloxypropanamide
CID 106101306
2-chloro-N-[(3-hydroxyoxolan-3-yl)methyl]acetamide
CID 106765719
N-[(3-hydroxyoxolan-3-yl)methyl]-3,3-dimethylbutanamide
CID 103849517
N-[(3-hydroxyoxolan-3-yl)methyl]-2-methylsulfanylacetamide
CID 103848673
3-(2,4-dimethylphenoxy)-N-[(3-hydroxyoxolan-3-yl)methyl]propanamide
CID 103848868
6-amino-4-ethyl-N-[(3-hydroxyoxolan-3-yl)methyl]hexanamide
CID 106101353
4-(propoxymethyl)oxan-4-ol
CID 79568343
3-(ethylamino)-N-[(3-hydroxyoxolan-3-yl)methyl]butanamide
CID 106101375
2-hydroxyethyl N-[(3-hydroxyoxolan-3-yl)methyl]carbamate
CID 106103199
N-[(3-hydroxyoxolan-3-yl)methyl]-2-propan-2-ylsulfanylacetamide
CID 103848866

Frequently Asked Questions

What is the IUPAC name of N-[(3-hydroxyoxolan-3-yl)methyl]-3-propoxypropanamide?
The IUPAC name of N-[(3-hydroxyoxolan-3-yl)methyl]-3-propoxypropanamide (CID 106102852) is N-[(3-hydroxyoxolan-3-yl)methyl]-3-propoxypropanamide.
What is the SMILES notation for N-[(3-hydroxyoxolan-3-yl)methyl]-3-propoxypropanamide?
The canonical SMILES for N-[(3-hydroxyoxolan-3-yl)methyl]-3-propoxypropanamide is CCCOCCC(=O)NCC1(O)CCOC1.
What is the InChIKey of N-[(3-hydroxyoxolan-3-yl)methyl]-3-propoxypropanamide?
The InChIKey is QVWVBMGPIAMGTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO4/c1-2-5-15-6-3-10(13)12-8-11(14)4-7-16-9-11/h14H,2-9H2,1H3,(H,12,13).
What are the key properties of N-[(3-hydroxyoxolan-3-yl)methyl]-3-propoxypropanamide?
N-[(3-hydroxyoxolan-3-yl)methyl]-3-propoxypropanamide has a molecular weight of 231.29 g/mol, XLogP of 0.07, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-hydroxyoxolan-3-yl)methyl]-3-propoxypropanamide is sourced from PubChem (CID 106102852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).