N-(2,2-dimethoxyethyl)-3-ethoxypropanamide

C9H19NO4 — CID 62966631

IUPACN-(2,2-dimethoxyethyl)-3-ethoxypropanamide
SMILESCCOCCC(=O)NCC(OC)OC
InChIInChI=1S/C9H19NO4/c1-4-14-6-5-8(11)10-7-9(12-2)13-3/h9H,4-7H2,1-3H3,(H,10,11)
InChIKeySZPBWHBLHBXPCQ-UHFFFAOYSA-N
MW205.25 g/mol
LogP0.15
Rot. Bonds8

About N-(2,2-dimethoxyethyl)-3-ethoxypropanamide

N-(2,2-dimethoxyethyl)-3-ethoxypropanamide (PubChem CID 62966631) has the molecular formula C9H19NO4 and a molecular weight of 205.25 g/mol. Its IUPAC name is N-(2,2-dimethoxyethyl)-3-ethoxypropanamide.

Molecular Properties

Compound NameN-(2,2-dimethoxyethyl)-3-ethoxypropanamide
PubChem CID62966631
Molecular FormulaC9H19NO4
Molecular Weight205.25 g/mol
Exact Mass205.13
IUPAC NameN-(2,2-dimethoxyethyl)-3-ethoxypropanamide
SMILESCCOCCC(=O)NCC(OC)OC
InChIInChI=1S/C9H19NO4/c1-4-14-6-5-8(11)10-7-9(12-2)13-3/h9H,4-7H2,1-3H3,(H,10,11)
InChIKeySZPBWHBLHBXPCQ-UHFFFAOYSA-N
XLogP0.15
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.25
LogP ≤ 50.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-ethoxy-N-(2-hydroxypropyl)propanamide
CID 62589549
3-ethoxy-N-ethylpropanamide
CID 58030283
3-amino-N-(2,2-dimethoxyethyl)propanamide
CID 61275461
N-[(2R)-2-hydroxypropyl]-3-propoxypropanamide
CID 83060047
N-(2-cyclopentyl-2-hydroxyethyl)-3-ethoxypropanamide
CID 111425977
3-[(3-ethoxypropanoylamino)methyl]-5-methylhexanoic acid
CID 65494349
2-[3-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]propanoylamino]ethyl dihydrogen phosphate
CID 175835823
3-ethoxy-N-(2-hydroxy-2-methylpropyl)propanamide
CID 65109921
N-(3-amino-4-methoxybutyl)-3-ethoxypropanamide
CID 106243005
3-[2-(2-ethoxyethoxy)ethoxy]-N-(2-propan-2-yloxyethyl)propanamide;molecular hydrogen
CID 156820526
N-(methoxymethyl)-3-[3-(methoxymethylamino)-3-oxopropoxy]propanamide
CID 163884535
methyl 3-[3-[2-[3-[2-(propanoylamino)ethoxy]propanoylamino]ethoxy]propanoylamino]-2-[[3-[2-[3-[2-(propanoylamino)ethoxy]propanoylamino]ethoxy]propanoylamino]methyl]propanoate
CID 168852447

Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethoxyethyl)-3-ethoxypropanamide?
The IUPAC name of N-(2,2-dimethoxyethyl)-3-ethoxypropanamide (CID 62966631) is N-(2,2-dimethoxyethyl)-3-ethoxypropanamide.
What is the SMILES notation for N-(2,2-dimethoxyethyl)-3-ethoxypropanamide?
The canonical SMILES for N-(2,2-dimethoxyethyl)-3-ethoxypropanamide is CCOCCC(=O)NCC(OC)OC.
What is the InChIKey of N-(2,2-dimethoxyethyl)-3-ethoxypropanamide?
The InChIKey is SZPBWHBLHBXPCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO4/c1-4-14-6-5-8(11)10-7-9(12-2)13-3/h9H,4-7H2,1-3H3,(H,10,11).
What are the key properties of N-(2,2-dimethoxyethyl)-3-ethoxypropanamide?
N-(2,2-dimethoxyethyl)-3-ethoxypropanamide has a molecular weight of 205.25 g/mol, XLogP of 0.15, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethoxyethyl)-3-ethoxypropanamide is sourced from PubChem (CID 62966631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).