N-(2-methoxyethyl)-N'-(oxolan-2-ylmethyl)propanediamide

C11H20N2O4 — CID 108943055

IUPACN-(2-methoxyethyl)-N'-(oxolan-2-ylmethyl)propanediamide
SMILESCOCCNC(=O)CC(=O)NCC1CCCO1
InChIInChI=1S/C11H20N2O4/c1-16-6-4-12-10(14)7-11(15)13-8-9-3-2-5-17-9/h9H,2-8H2,1H3,(H,12,14)(H,13,15)
InChIKeyWAPIMVSBEQSYKP-UHFFFAOYSA-N
MW244.29 g/mol
LogP-0.57
Rot. Bonds7

About N-(2-methoxyethyl)-N'-(oxolan-2-ylmethyl)propanediamide

N-(2-methoxyethyl)-N'-(oxolan-2-ylmethyl)propanediamide (PubChem CID 108943055) has the molecular formula C11H20N2O4 and a molecular weight of 244.29 g/mol. Its IUPAC name is N-(2-methoxyethyl)-N'-(oxolan-2-ylmethyl)propanediamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-N'-(oxolan-2-ylmethyl)propanediamide
PubChem CID108943055
Molecular FormulaC11H20N2O4
Molecular Weight244.29 g/mol
Exact Mass244.14
IUPAC NameN-(2-methoxyethyl)-N'-(oxolan-2-ylmethyl)propanediamide
SMILESCOCCNC(=O)CC(=O)NCC1CCCO1
InChIInChI=1S/C11H20N2O4/c1-16-6-4-12-10(14)7-11(15)13-8-9-3-2-5-17-9/h9H,2-8H2,1H3,(H,12,14)(H,13,15)
InChIKeyWAPIMVSBEQSYKP-UHFFFAOYSA-N
XLogP-0.57
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 5-0.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

2-(2-methoxyethylamino)-N-(oxolan-2-ylmethyl)acetamide;hydrochloride
CID 119670121
N-(2-methoxyethyl)-2-(oxolan-2-yl)acetamide
CID 110696561
2-(2-methoxyethylamino)-N-(oxan-2-ylmethyl)acetamide
CID 79281834
N-(2-methoxyethyl)-2-(oxan-2-yl)acetamide
CID 110407614
N-(2-methoxyethyl)-4-[[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]amino]benzamide
CID 54835847
N-(3-methoxypropyl)-N'-[[(2S)-oxolan-2-yl]methyl]oxamide
CID 7013045
N-(3-methoxypropyl)-N'-[[(2R)-oxolan-2-yl]methyl]oxamide
CID 7013044
methyl 4-oxo-4-(oxolan-2-ylmethylamino)butanoate
CID 112511188
2-chloro-N-(oxolan-2-ylmethyl)acetamide;hydrochloride
CID 143235594
2-(oxolan-2-yl)-N-(oxolan-2-ylmethyl)acetamide
CID 110696563
3-(methylamino)-N-(oxolan-2-ylmethyl)propanamide
CID 54773627
2-amino-4-methoxy-N-(oxolan-2-ylmethyl)butanamide
CID 62472979

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-N'-(oxolan-2-ylmethyl)propanediamide?
The IUPAC name of N-(2-methoxyethyl)-N'-(oxolan-2-ylmethyl)propanediamide (CID 108943055) is N-(2-methoxyethyl)-N'-(oxolan-2-ylmethyl)propanediamide.
What is the SMILES notation for N-(2-methoxyethyl)-N'-(oxolan-2-ylmethyl)propanediamide?
The canonical SMILES for N-(2-methoxyethyl)-N'-(oxolan-2-ylmethyl)propanediamide is COCCNC(=O)CC(=O)NCC1CCCO1.
What is the InChIKey of N-(2-methoxyethyl)-N'-(oxolan-2-ylmethyl)propanediamide?
The InChIKey is WAPIMVSBEQSYKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O4/c1-16-6-4-12-10(14)7-11(15)13-8-9-3-2-5-17-9/h9H,2-8H2,1H3,(H,12,14)(H,13,15).
What are the key properties of N-(2-methoxyethyl)-N'-(oxolan-2-ylmethyl)propanediamide?
N-(2-methoxyethyl)-N'-(oxolan-2-ylmethyl)propanediamide has a molecular weight of 244.29 g/mol, XLogP of -0.57, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-N'-(oxolan-2-ylmethyl)propanediamide is sourced from PubChem (CID 108943055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).