3-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-N,N-diethyl-3-oxopropanamide

C12H21NO4 — CID 23240176

IUPAC3-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-N,N-diethyl-3-oxopropanamide
SMILESCCN(CC)C(=O)CC(=O)[C@H]1COC(C)(C)O1
InChIInChI=1S/C12H21NO4/c1-5-13(6-2)11(15)7-9(14)10-8-16-12(3,4)17-10/h10H,5-8H2,1-4H3/t10-/m1/s1
InChIKeyNLHWJZYXMCBRNY-SNVBAGLBSA-N
MW243.30 g/mol
LogP0.97
Rot. Bonds5

About 3-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-N,N-diethyl-3-oxopropanamide

3-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-N,N-diethyl-3-oxopropanamide (PubChem CID 23240176) has the molecular formula C12H21NO4 and a molecular weight of 243.30 g/mol. Its IUPAC name is 3-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-N,N-diethyl-3-oxopropanamide.

Molecular Properties

Compound Name3-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-N,N-diethyl-3-oxopropanamide
PubChem CID23240176
Molecular FormulaC12H21NO4
Molecular Weight243.30 g/mol
Exact Mass243.15
IUPAC Name3-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-N,N-diethyl-3-oxopropanamide
SMILESCCN(CC)C(=O)CC(=O)[C@H]1COC(C)(C)O1
InChIInChI=1S/C12H21NO4/c1-5-13(6-2)11(15)7-9(14)10-8-16-12(3,4)17-10/h10H,5-8H2,1-4H3/t10-/m1/s1
InChIKeyNLHWJZYXMCBRNY-SNVBAGLBSA-N
XLogP0.97
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.30
LogP ≤ 50.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-N,N-diethyl-3-oxopropanamide?
The IUPAC name of 3-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-N,N-diethyl-3-oxopropanamide (CID 23240176) is 3-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-N,N-diethyl-3-oxopropanamide.
What is the SMILES notation for 3-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-N,N-diethyl-3-oxopropanamide?
The canonical SMILES for 3-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-N,N-diethyl-3-oxopropanamide is CCN(CC)C(=O)CC(=O)[C@H]1COC(C)(C)O1.
What is the InChIKey of 3-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-N,N-diethyl-3-oxopropanamide?
The InChIKey is NLHWJZYXMCBRNY-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H21NO4/c1-5-13(6-2)11(15)7-9(14)10-8-16-12(3,4)17-10/h10H,5-8H2,1-4H3/t10-/m1/s1.
What are the key properties of 3-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-N,N-diethyl-3-oxopropanamide?
3-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-N,N-diethyl-3-oxopropanamide has a molecular weight of 243.30 g/mol, XLogP of 0.97, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-N,N-diethyl-3-oxopropanamide is sourced from PubChem (CID 23240176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).