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

C12H26N2O3 — CID 63619039

IUPAC2-[2,2-diethoxyethyl(methyl)amino]-N-propylacetamide
SMILESCCCNC(=O)CN(C)CC(OCC)OCC
InChIInChI=1S/C12H26N2O3/c1-5-8-13-11(15)9-14(4)10-12(16-6-2)17-7-3/h12H,5-10H2,1-4H3,(H,13,15)
InChIKeyUMIZBDCGNABZOS-UHFFFAOYSA-N
MW246.35 g/mol
LogP0.84
Rot. Bonds10

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

2-[2,2-diethoxyethyl(methyl)amino]-N-propylacetamide (PubChem CID 63619039) has the molecular formula C12H26N2O3 and a molecular weight of 246.35 g/mol. Its IUPAC name is 2-[2,2-diethoxyethyl(methyl)amino]-N-propylacetamide.

Molecular Properties

Compound Name2-[2,2-diethoxyethyl(methyl)amino]-N-propylacetamide
PubChem CID63619039
Molecular FormulaC12H26N2O3
Molecular Weight246.35 g/mol
Exact Mass246.19
IUPAC Name2-[2,2-diethoxyethyl(methyl)amino]-N-propylacetamide
SMILESCCCNC(=O)CN(C)CC(OCC)OCC
InChIInChI=1S/C12H26N2O3/c1-5-8-13-11(15)9-14(4)10-12(16-6-2)17-7-3/h12H,5-10H2,1-4H3,(H,13,15)
InChIKeyUMIZBDCGNABZOS-UHFFFAOYSA-N
XLogP0.84
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 50.84
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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Related Compounds

2-[2,2-dimethoxyethyl(methyl)amino]-N-propylacetamide
CID 66221480
trifluoro-[[methyl-[2-oxo-2-(propylamino)ethyl]amino]methyl]boranuide
CID 63703325
2-[methyl(3-oxopropyl)amino]-N-propylacetamide
CID 63040548
2-[acetyl(propan-2-yl)amino]-N-propylacetamide
CID 113158097
2-[[3-hydroxy-2-(hydroxymethyl)propyl]-methylamino]-N-(propylcarbamoyl)acetamide
CID 146142232
2-[2-hydroxypropyl(methyl)amino]-N-(3-propan-2-yloxypropyl)acetamide
CID 55061227
N-(2-hydroxyethyl)-2-[methyl(2-methylbutyl)amino]acetamide
CID 43509527
N-(2-aminoethyl)-2-[2-hydroxypropyl(methyl)amino]acetamide
CID 62332906
N-(2,2-diethoxyethyl)-N,3-dimethylbutan-1-amine
CID 63619021
2-[ethyl(methyl)amino]-N-[2-(2-propoxyethoxy)ethyl]acetamide
CID 139373767
methyl 2-[[2-[methyl-[2-oxo-2-(propylamino)ethyl]amino]-2-oxoethyl]-propan-2-ylamino]acetate
CID 62026833
2-[[2-[methyl-[2-oxo-2-(propylamino)ethyl]amino]-2-oxoethyl]-(2-methylpropyl)amino]acetic acid
CID 63065230

Frequently Asked Questions

What is the IUPAC name of 2-[2,2-diethoxyethyl(methyl)amino]-N-propylacetamide?
The IUPAC name of 2-[2,2-diethoxyethyl(methyl)amino]-N-propylacetamide (CID 63619039) is 2-[2,2-diethoxyethyl(methyl)amino]-N-propylacetamide.
What is the SMILES notation for 2-[2,2-diethoxyethyl(methyl)amino]-N-propylacetamide?
The canonical SMILES for 2-[2,2-diethoxyethyl(methyl)amino]-N-propylacetamide is CCCNC(=O)CN(C)CC(OCC)OCC.
What is the InChIKey of 2-[2,2-diethoxyethyl(methyl)amino]-N-propylacetamide?
The InChIKey is UMIZBDCGNABZOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O3/c1-5-8-13-11(15)9-14(4)10-12(16-6-2)17-7-3/h12H,5-10H2,1-4H3,(H,13,15).
What are the key properties of 2-[2,2-diethoxyethyl(methyl)amino]-N-propylacetamide?
2-[2,2-diethoxyethyl(methyl)amino]-N-propylacetamide has a molecular weight of 246.35 g/mol, XLogP of 0.84, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,2-diethoxyethyl(methyl)amino]-N-propylacetamide is sourced from PubChem (CID 63619039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).