N-(2,2-dimethoxyethyl)-2-oxopentanamide

C9H17NO4 — CID 58111384

IUPACN-(2,2-dimethoxyethyl)-2-oxopentanamide
SMILESCCCC(=O)C(=O)NCC(OC)OC
InChIInChI=1S/C9H17NO4/c1-4-5-7(11)9(12)10-6-8(13-2)14-3/h8H,4-6H2,1-3H3,(H,10,12)
InChIKeyIQOAKCUDJGNMCQ-UHFFFAOYSA-N
MW203.24 g/mol
LogP0.09
Rot. Bonds7

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

N-(2,2-dimethoxyethyl)-2-oxopentanamide (PubChem CID 58111384) has the molecular formula C9H17NO4 and a molecular weight of 203.24 g/mol. Its IUPAC name is N-(2,2-dimethoxyethyl)-2-oxopentanamide.

Molecular Properties

Compound NameN-(2,2-dimethoxyethyl)-2-oxopentanamide
PubChem CID58111384
Molecular FormulaC9H17NO4
Molecular Weight203.24 g/mol
Exact Mass203.12
IUPAC NameN-(2,2-dimethoxyethyl)-2-oxopentanamide
SMILESCCCC(=O)C(=O)NCC(OC)OC
InChIInChI=1S/C9H17NO4/c1-4-5-7(11)9(12)10-6-8(13-2)14-3/h8H,4-6H2,1-3H3,(H,10,12)
InChIKeyIQOAKCUDJGNMCQ-UHFFFAOYSA-N
XLogP0.09
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.24
LogP ≤ 50.09
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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Related Compounds

N-(2,2-diethoxyethyl)-3-oxobutanamide
CID 296336
N-(2,2-dimethoxyethyl)-N'-(2-oxopropyl)oxamide
CID 18741303
N-(2,2-dimethoxyethyl)-2-oxobutanamide
CID 58157863
N-(2,2-dimethoxyethyl)hexanamide
CID 62968383
N-[2-(1-ethoxyethoxy)ethyl]pentanamide
CID 89241731
2,2-dimethoxyethanamine;N-(2,2-dimethoxyethyl)-N'-(2-oxopropyl)oxamide
CID 91212468
N,N'-bis(2,2-dimethoxyethyl)pentanediamide
CID 141334865
N'-(2,2-dimethoxyethyl)pentanediamide
CID 151683220
N-(2,2-dimethoxyethyl)-3-oxobutanamide
CID 61248277
2-amino-N-(2,2-dimethoxyethyl)pentanamide
CID 61274915
6-amino-N-(2,2-dimethoxyethyl)hexanamide
CID 61275661
N-(2,2-dimethoxyethyl)pentanamide
CID 62966806

Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethoxyethyl)-2-oxopentanamide?
The IUPAC name of N-(2,2-dimethoxyethyl)-2-oxopentanamide (CID 58111384) is N-(2,2-dimethoxyethyl)-2-oxopentanamide.
What is the SMILES notation for N-(2,2-dimethoxyethyl)-2-oxopentanamide?
The canonical SMILES for N-(2,2-dimethoxyethyl)-2-oxopentanamide is CCCC(=O)C(=O)NCC(OC)OC.
What is the InChIKey of N-(2,2-dimethoxyethyl)-2-oxopentanamide?
The InChIKey is IQOAKCUDJGNMCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO4/c1-4-5-7(11)9(12)10-6-8(13-2)14-3/h8H,4-6H2,1-3H3,(H,10,12).
What are the key properties of N-(2,2-dimethoxyethyl)-2-oxopentanamide?
N-(2,2-dimethoxyethyl)-2-oxopentanamide has a molecular weight of 203.24 g/mol, XLogP of 0.09, 7 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-oxopentanamide is sourced from PubChem (CID 58111384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).