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

C11H22N2O4 — CID 174488495

IUPAC2-[acetyl(2,2-dimethoxyethyl)amino]-N-propylacetamide
SMILESCCCNC(=O)CN(CC(OC)OC)C(C)=O
InChIInChI=1S/C11H22N2O4/c1-5-6-12-10(15)7-13(9(2)14)8-11(16-3)17-4/h11H,5-8H2,1-4H3,(H,12,15)
InChIKeyFVABTTUDYIRPFR-UHFFFAOYSA-N
MW246.31 g/mol
LogP-0.02
Rot. Bonds8

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

2-[acetyl(2,2-dimethoxyethyl)amino]-N-propylacetamide (PubChem CID 174488495) has the molecular formula C11H22N2O4 and a molecular weight of 246.31 g/mol. Its IUPAC name is 2-[acetyl(2,2-dimethoxyethyl)amino]-N-propylacetamide.

Molecular Properties

Compound Name2-[acetyl(2,2-dimethoxyethyl)amino]-N-propylacetamide
PubChem CID174488495
Molecular FormulaC11H22N2O4
Molecular Weight246.31 g/mol
Exact Mass246.16
IUPAC Name2-[acetyl(2,2-dimethoxyethyl)amino]-N-propylacetamide
SMILESCCCNC(=O)CN(CC(OC)OC)C(C)=O
InChIInChI=1S/C11H22N2O4/c1-5-6-12-10(15)7-13(9(2)14)8-11(16-3)17-4/h11H,5-8H2,1-4H3,(H,12,15)
InChIKeyFVABTTUDYIRPFR-UHFFFAOYSA-N
XLogP-0.02
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 5-0.02
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

N,N'-bis(2,2-dimethoxyethyl)-N,N'-dimethyloxamide
CID 3418065
N-(2,2-dimethoxyethyl)-2-isocyanoacetamide
CID 108814821
N-[2-(2,2-dimethoxyethylamino)-2-oxoethyl]-2,2,2-trifluoroacetamide
CID 84426040
N-(2,2-dimethoxyethyl)-N-ethyl-2-methyl-2-[(2,2,2-trifluoroacetyl)amino]propanamide
CID 132393714
N-butyl-N'-(2-methoxyethyl)oxamide
CID 2291239
N1-(2,2-dimethoxyethyl)ethanediamide
CID 2774688
[(2,2-Dimethoxy-ethylaminooxalyl)-amino]-acetic acid ethyl ester
CID 9899933
N-ethyl-N'-(2,2-diethoxyethyl)oxamide
CID 13366331
N-(2,2-Diethoxyethyl)-N'-methyl-ethanediamide
CID 13366332
2-[bis(2-methoxyethyl)amino]-N-[2-(methylamino)ethyl]-N-(2-oxopropyl)acetamide
CID 18711277
N-[1-[[1-[[1-[[1-(1,1-dimethoxypropan-2-ylamino)-1-oxopropan-2-yl]-methylamino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]-methylamino]-1-oxopropan-2-yl]-2-(methylamino)propanamide
CID 18723916
N-(2,2-dimethoxyethyl)-N'-(2-oxopropyl)oxamide
CID 18741303

Frequently Asked Questions

What is the IUPAC name of 2-[acetyl(2,2-dimethoxyethyl)amino]-N-propylacetamide?
The IUPAC name of 2-[acetyl(2,2-dimethoxyethyl)amino]-N-propylacetamide (CID 174488495) is 2-[acetyl(2,2-dimethoxyethyl)amino]-N-propylacetamide.
What is the SMILES notation for 2-[acetyl(2,2-dimethoxyethyl)amino]-N-propylacetamide?
The canonical SMILES for 2-[acetyl(2,2-dimethoxyethyl)amino]-N-propylacetamide is CCCNC(=O)CN(CC(OC)OC)C(C)=O.
What is the InChIKey of 2-[acetyl(2,2-dimethoxyethyl)amino]-N-propylacetamide?
The InChIKey is FVABTTUDYIRPFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O4/c1-5-6-12-10(15)7-13(9(2)14)8-11(16-3)17-4/h11H,5-8H2,1-4H3,(H,12,15).
What are the key properties of 2-[acetyl(2,2-dimethoxyethyl)amino]-N-propylacetamide?
2-[acetyl(2,2-dimethoxyethyl)amino]-N-propylacetamide has a molecular weight of 246.31 g/mol, XLogP of -0.02, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[acetyl(2,2-dimethoxyethyl)amino]-N-propylacetamide is sourced from PubChem (CID 174488495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).