N-[3-(dimethylamino)propyl]-2-ethoxyacetamide

C9H20N2O2 — CID 3312440

IUPACN-[3-(dimethylamino)propyl]-2-ethoxyacetamide
SMILESCCOCC(=O)NCCCN(C)C
InChIInChI=1S/C9H20N2O2/c1-4-13-8-9(12)10-6-5-7-11(2)3/h4-8H2,1-3H3,(H,10,12)
InChIKeyWHCWDGOYDMPBAQ-UHFFFAOYSA-N
MW188.27 g/mol
LogP0.09
Rot. Bonds7

About N-[3-(dimethylamino)propyl]-2-ethoxyacetamide

N-[3-(dimethylamino)propyl]-2-ethoxyacetamide (PubChem CID 3312440) has the molecular formula C9H20N2O2 and a molecular weight of 188.27 g/mol. Its IUPAC name is N-[3-(dimethylamino)propyl]-2-ethoxyacetamide.

Molecular Properties

Compound NameN-[3-(dimethylamino)propyl]-2-ethoxyacetamide
PubChem CID3312440
Molecular FormulaC9H20N2O2
Molecular Weight188.27 g/mol
Exact Mass188.15
IUPAC NameN-[3-(dimethylamino)propyl]-2-ethoxyacetamide
SMILESCCOCC(=O)NCCCN(C)C
InChIInChI=1S/C9H20N2O2/c1-4-13-8-9(12)10-6-5-7-11(2)3/h4-8H2,1-3H3,(H,10,12)
InChIKeyWHCWDGOYDMPBAQ-UHFFFAOYSA-N
XLogP0.09
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 50.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[3-(4-aminobutylamino)propyl]-2-methoxyacetamide;hydrochloride
CID 118721810
N-(4-aminobutyl)-2-methoxyacetamide;hydrochloride
CID 118721808
N-[4-(3-aminopropylamino)butyl]-2-methoxyacetamide;hydrochloride
CID 118721813
N-(4-aminobutyl)-N-(3-aminopropyl)-2-methoxyacetamide;hydrochloride
CID 118721816
3-(2-acetamidoethoxy)propyl-trimethyl-azanium Chloride
CID 178377
2-ethoxy-N-((1-methylpyrrolidin-3-yl)methyl)acetamide
CID 63365315
N-(3-aminopropyl)-2-methoxyacetamide hydrochloride
CID 154747260
N-(4-(diethylamino)but-2-yn-1-yl)-2-ethoxyacetamide
CID 71792450
N-butyl-2-methoxyacetamide
CID 13708111
5,9-Dioxo-1,7-dioxa-4,10-diaza-cyclododecane
CID 14793294
1,8-Dioxa-4,11-diazacyclotetradecane-3,10-dione
CID 23330011
N'-decyl-3-oxapentane-1,5-diamide
CID 87580811

Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylamino)propyl]-2-ethoxyacetamide?
The IUPAC name of N-[3-(dimethylamino)propyl]-2-ethoxyacetamide (CID 3312440) is N-[3-(dimethylamino)propyl]-2-ethoxyacetamide.
What is the SMILES notation for N-[3-(dimethylamino)propyl]-2-ethoxyacetamide?
The canonical SMILES for N-[3-(dimethylamino)propyl]-2-ethoxyacetamide is CCOCC(=O)NCCCN(C)C.
What is the InChIKey of N-[3-(dimethylamino)propyl]-2-ethoxyacetamide?
The InChIKey is WHCWDGOYDMPBAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O2/c1-4-13-8-9(12)10-6-5-7-11(2)3/h4-8H2,1-3H3,(H,10,12).
What are the key properties of N-[3-(dimethylamino)propyl]-2-ethoxyacetamide?
N-[3-(dimethylamino)propyl]-2-ethoxyacetamide has a molecular weight of 188.27 g/mol, XLogP of 0.09, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylamino)propyl]-2-ethoxyacetamide is sourced from PubChem (CID 3312440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).