N',N'-diethyl-N-(oxolan-2-ylmethyl)propanediamide

C12H22N2O3 — CID 108943661

IUPACN',N'-diethyl-N-(oxolan-2-ylmethyl)propanediamide
SMILESCCN(CC)C(=O)CC(=O)NCC1CCCO1
InChIInChI=1S/C12H22N2O3/c1-3-14(4-2)12(16)8-11(15)13-9-10-6-5-7-17-10/h10H,3-9H2,1-2H3,(H,13,15)
InChIKeyYWZRUIDYQFPEMF-UHFFFAOYSA-N
MW242.32 g/mol
LogP0.54
Rot. Bonds6

About N',N'-diethyl-N-(oxolan-2-ylmethyl)propanediamide

N',N'-diethyl-N-(oxolan-2-ylmethyl)propanediamide (PubChem CID 108943661) has the molecular formula C12H22N2O3 and a molecular weight of 242.32 g/mol. Its IUPAC name is N',N'-diethyl-N-(oxolan-2-ylmethyl)propanediamide.

Molecular Properties

Compound NameN',N'-diethyl-N-(oxolan-2-ylmethyl)propanediamide
PubChem CID108943661
Molecular FormulaC12H22N2O3
Molecular Weight242.32 g/mol
Exact Mass242.16
IUPAC NameN',N'-diethyl-N-(oxolan-2-ylmethyl)propanediamide
SMILESCCN(CC)C(=O)CC(=O)NCC1CCCO1
InChIInChI=1S/C12H22N2O3/c1-3-14(4-2)12(16)8-11(15)13-9-10-6-5-7-17-10/h10H,3-9H2,1-2H3,(H,13,15)
InChIKeyYWZRUIDYQFPEMF-UHFFFAOYSA-N
XLogP0.54
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 50.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(oxolan-2-yl)-N-(oxolan-2-ylmethyl)acetamide
CID 110696563
2-[ethyl(pyrrolidin-3-yl)amino]-N-(oxolan-2-ylmethyl)acetamide
CID 63299858
3-[acetyl(propyl)amino]-N-(oxolan-2-ylmethyl)propanamide
CID 113114927
N,N-diethyl-4-[[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]amino]benzamide
CID 54834167
2-[carboxymethyl-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]amino]acetic acid
CID 63646322
N,N-diethyl-3-(oxan-2-ylmethylamino)propanamide
CID 113225012
(2R)-N,N-diethyl-2-[[(2S)-oxolan-2-yl]methylcarbamoylamino]propanamide
CID 95352951
ethyl 2-[cyclopropyl-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]amino]acetate
CID 62027423
2-methylsulfanyl-N-(oxolan-2-ylmethyl)acetamide
CID 51109505
3-methyl-N-(oxolan-2-ylmethyl)butanamide
CID 3509797
2-chloro-N-(oxolan-2-ylmethyl)acetamide;hydrochloride
CID 143235594
N-[[(2R)-oxolan-2-yl]methyl]-2-[[(2R)-oxolan-2-yl]methylamino]acetamide
CID 7437120

Frequently Asked Questions

What is the IUPAC name of N',N'-diethyl-N-(oxolan-2-ylmethyl)propanediamide?
The IUPAC name of N',N'-diethyl-N-(oxolan-2-ylmethyl)propanediamide (CID 108943661) is N',N'-diethyl-N-(oxolan-2-ylmethyl)propanediamide.
What is the SMILES notation for N',N'-diethyl-N-(oxolan-2-ylmethyl)propanediamide?
The canonical SMILES for N',N'-diethyl-N-(oxolan-2-ylmethyl)propanediamide is CCN(CC)C(=O)CC(=O)NCC1CCCO1.
What is the InChIKey of N',N'-diethyl-N-(oxolan-2-ylmethyl)propanediamide?
The InChIKey is YWZRUIDYQFPEMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O3/c1-3-14(4-2)12(16)8-11(15)13-9-10-6-5-7-17-10/h10H,3-9H2,1-2H3,(H,13,15).
What are the key properties of N',N'-diethyl-N-(oxolan-2-ylmethyl)propanediamide?
N',N'-diethyl-N-(oxolan-2-ylmethyl)propanediamide has a molecular weight of 242.32 g/mol, XLogP of 0.54, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N',N'-diethyl-N-(oxolan-2-ylmethyl)propanediamide is sourced from PubChem (CID 108943661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).