N-(2,2-dimethoxyethyl)-2-oxobutanamide

C8H15NO4 — CID 58157863

IUPACN-(2,2-dimethoxyethyl)-2-oxobutanamide
SMILESCCC(=O)C(=O)NCC(OC)OC
InChIInChI=1S/C8H15NO4/c1-4-6(10)8(11)9-5-7(12-2)13-3/h7H,4-5H2,1-3H3,(H,9,11)
InChIKeyBDOPFDHFLJDEGM-UHFFFAOYSA-N
MW189.21 g/mol
LogP-0.30
Rot. Bonds6

About N-(2,2-dimethoxyethyl)-2-oxobutanamide

N-(2,2-dimethoxyethyl)-2-oxobutanamide (PubChem CID 58157863) has the molecular formula C8H15NO4 and a molecular weight of 189.21 g/mol. Its IUPAC name is N-(2,2-dimethoxyethyl)-2-oxobutanamide.

Molecular Properties

Compound NameN-(2,2-dimethoxyethyl)-2-oxobutanamide
PubChem CID58157863
Molecular FormulaC8H15NO4
Molecular Weight189.21 g/mol
Exact Mass189.10
IUPAC NameN-(2,2-dimethoxyethyl)-2-oxobutanamide
SMILESCCC(=O)C(=O)NCC(OC)OC
InChIInChI=1S/C8H15NO4/c1-4-6(10)8(11)9-5-7(12-2)13-3/h7H,4-5H2,1-3H3,(H,9,11)
InChIKeyBDOPFDHFLJDEGM-UHFFFAOYSA-N
XLogP-0.30
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.21
LogP ≤ 5-0.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethoxyethyl)-2-oxobutanamide?
The IUPAC name of N-(2,2-dimethoxyethyl)-2-oxobutanamide (CID 58157863) is N-(2,2-dimethoxyethyl)-2-oxobutanamide.
What is the SMILES notation for N-(2,2-dimethoxyethyl)-2-oxobutanamide?
The canonical SMILES for N-(2,2-dimethoxyethyl)-2-oxobutanamide is CCC(=O)C(=O)NCC(OC)OC.
What is the InChIKey of N-(2,2-dimethoxyethyl)-2-oxobutanamide?
The InChIKey is BDOPFDHFLJDEGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO4/c1-4-6(10)8(11)9-5-7(12-2)13-3/h7H,4-5H2,1-3H3,(H,9,11).
What are the key properties of N-(2,2-dimethoxyethyl)-2-oxobutanamide?
N-(2,2-dimethoxyethyl)-2-oxobutanamide has a molecular weight of 189.21 g/mol, XLogP of -0.30, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethoxyethyl)-2-oxobutanamide is sourced from PubChem (CID 58157863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).