N-(2-acetamidoethyl)-N-(2,2-diethoxyethyl)propanamide

C13H26N2O4 — CID 58123036

IUPACN-(2-acetamidoethyl)-N-(2,2-diethoxyethyl)propanamide
SMILESCCOC(CN(CCNC(C)=O)C(=O)CC)OCC
InChIInChI=1S/C13H26N2O4/c1-5-12(17)15(9-8-14-11(4)16)10-13(18-6-2)19-7-3/h13H,5-10H2,1-4H3,(H,14,16)
InChIKeyFYCOERLIFBZTQP-UHFFFAOYSA-N
MW274.36 g/mol
LogP0.76
Rot. Bonds10

About N-(2-acetamidoethyl)-N-(2,2-diethoxyethyl)propanamide

N-(2-acetamidoethyl)-N-(2,2-diethoxyethyl)propanamide (PubChem CID 58123036) has the molecular formula C13H26N2O4 and a molecular weight of 274.36 g/mol. Its IUPAC name is N-(2-acetamidoethyl)-N-(2,2-diethoxyethyl)propanamide.

Molecular Properties

Compound NameN-(2-acetamidoethyl)-N-(2,2-diethoxyethyl)propanamide
PubChem CID58123036
Molecular FormulaC13H26N2O4
Molecular Weight274.36 g/mol
Exact Mass274.19
IUPAC NameN-(2-acetamidoethyl)-N-(2,2-diethoxyethyl)propanamide
SMILESCCOC(CN(CCNC(C)=O)C(=O)CC)OCC
InChIInChI=1S/C13H26N2O4/c1-5-12(17)15(9-8-14-11(4)16)10-13(18-6-2)19-7-3/h13H,5-10H2,1-4H3,(H,14,16)
InChIKeyFYCOERLIFBZTQP-UHFFFAOYSA-N
XLogP0.76
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 50.76
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-Acetyl-N'-diethoxypropionyl ethylenediamine
CID 368236
1-acetyl-N-(2,2-diethoxyethyl)azetidine-3-carboxamide
CID 71785163
N-ethyl-N'-(2,2-diethoxyethyl)oxamide
CID 13366331
N-(2,2-Diethoxyethyl)-N'-methyl-ethanediamide
CID 13366332
N-(2,2-diethoxyethyl)acetamide
CID 14549804
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
1,1-diethoxyethane;N-(2,2-dimethoxyethyl)-2-methylpropanamide
CID 22034975
N-(2,2-dimethoxyethyl)-N'-ethylethanediamide
CID 44997787
N'-(2,2-dimethoxyethyl)-N-propyloxamide
CID 45585071
N-(2,2-diethoxyethyl)-N-[2-(methylamino)ethyl]propanamide
CID 58122988
N-(2-aminoethyl)-N-(2,2-diethoxyethyl)propanamide
CID 58123003

Frequently Asked Questions

What is the IUPAC name of N-(2-acetamidoethyl)-N-(2,2-diethoxyethyl)propanamide?
The IUPAC name of N-(2-acetamidoethyl)-N-(2,2-diethoxyethyl)propanamide (CID 58123036) is N-(2-acetamidoethyl)-N-(2,2-diethoxyethyl)propanamide.
What is the SMILES notation for N-(2-acetamidoethyl)-N-(2,2-diethoxyethyl)propanamide?
The canonical SMILES for N-(2-acetamidoethyl)-N-(2,2-diethoxyethyl)propanamide is CCOC(CN(CCNC(C)=O)C(=O)CC)OCC.
What is the InChIKey of N-(2-acetamidoethyl)-N-(2,2-diethoxyethyl)propanamide?
The InChIKey is FYCOERLIFBZTQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O4/c1-5-12(17)15(9-8-14-11(4)16)10-13(18-6-2)19-7-3/h13H,5-10H2,1-4H3,(H,14,16).
What are the key properties of N-(2-acetamidoethyl)-N-(2,2-diethoxyethyl)propanamide?
N-(2-acetamidoethyl)-N-(2,2-diethoxyethyl)propanamide has a molecular weight of 274.36 g/mol, XLogP of 0.76, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-acetamidoethyl)-N-(2,2-diethoxyethyl)propanamide is sourced from PubChem (CID 58123036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).