2-[2,2-dimethoxyethyl(methyl)amino]-N-propylacetamide

C10H22N2O3 — CID 66221480

IUPAC2-[2,2-dimethoxyethyl(methyl)amino]-N-propylacetamide
SMILESCCCNC(=O)CN(C)CC(OC)OC
InChIInChI=1S/C10H22N2O3/c1-5-6-11-9(13)7-12(2)8-10(14-3)15-4/h10H,5-8H2,1-4H3,(H,11,13)
InChIKeyRSMDUJSTHSRITB-UHFFFAOYSA-N
MW218.30 g/mol
LogP0.06
Rot. Bonds8

About 2-[2,2-dimethoxyethyl(methyl)amino]-N-propylacetamide

2-[2,2-dimethoxyethyl(methyl)amino]-N-propylacetamide (PubChem CID 66221480) has the molecular formula C10H22N2O3 and a molecular weight of 218.30 g/mol. Its IUPAC name is 2-[2,2-dimethoxyethyl(methyl)amino]-N-propylacetamide.

Molecular Properties

Compound Name2-[2,2-dimethoxyethyl(methyl)amino]-N-propylacetamide
PubChem CID66221480
Molecular FormulaC10H22N2O3
Molecular Weight218.30 g/mol
Exact Mass218.16
IUPAC Name2-[2,2-dimethoxyethyl(methyl)amino]-N-propylacetamide
SMILESCCCNC(=O)CN(C)CC(OC)OC
InChIInChI=1S/C10H22N2O3/c1-5-6-11-9(13)7-12(2)8-10(14-3)15-4/h10H,5-8H2,1-4H3,(H,11,13)
InChIKeyRSMDUJSTHSRITB-UHFFFAOYSA-N
XLogP0.06
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 50.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[2,2-dimethoxyethyl(methyl)amino]-N-propylacetamide?
The IUPAC name of 2-[2,2-dimethoxyethyl(methyl)amino]-N-propylacetamide (CID 66221480) is 2-[2,2-dimethoxyethyl(methyl)amino]-N-propylacetamide.
What is the SMILES notation for 2-[2,2-dimethoxyethyl(methyl)amino]-N-propylacetamide?
The canonical SMILES for 2-[2,2-dimethoxyethyl(methyl)amino]-N-propylacetamide is CCCNC(=O)CN(C)CC(OC)OC.
What is the InChIKey of 2-[2,2-dimethoxyethyl(methyl)amino]-N-propylacetamide?
The InChIKey is RSMDUJSTHSRITB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O3/c1-5-6-11-9(13)7-12(2)8-10(14-3)15-4/h10H,5-8H2,1-4H3,(H,11,13).
What are the key properties of 2-[2,2-dimethoxyethyl(methyl)amino]-N-propylacetamide?
2-[2,2-dimethoxyethyl(methyl)amino]-N-propylacetamide has a molecular weight of 218.30 g/mol, XLogP of 0.06, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,2-dimethoxyethyl(methyl)amino]-N-propylacetamide is sourced from PubChem (CID 66221480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).