N-[2-(dimethylamino)-2-oxoethyl]-3-(ethylamino)-N-(2-methoxyethyl)propanamide

C12H25N3O3 — CID 55121481

IUPACN-[2-(dimethylamino)-2-oxoethyl]-3-(ethylamino)-N-(2-methoxyethyl)propanamide
SMILESCCNCCC(=O)N(CCOC)CC(=O)N(C)C
InChIInChI=1S/C12H25N3O3/c1-5-13-7-6-11(16)15(8-9-18-4)10-12(17)14(2)3/h13H,5-10H2,1-4H3
InChIKeyNDDFEWDIWUWFGE-UHFFFAOYSA-N
MW259.35 g/mol
LogP-0.45
Rot. Bonds9

About N-[2-(dimethylamino)-2-oxoethyl]-3-(ethylamino)-N-(2-methoxyethyl)propanamide

N-[2-(dimethylamino)-2-oxoethyl]-3-(ethylamino)-N-(2-methoxyethyl)propanamide (PubChem CID 55121481) has the molecular formula C12H25N3O3 and a molecular weight of 259.35 g/mol. Its IUPAC name is N-[2-(dimethylamino)-2-oxoethyl]-3-(ethylamino)-N-(2-methoxyethyl)propanamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)-2-oxoethyl]-3-(ethylamino)-N-(2-methoxyethyl)propanamide
PubChem CID55121481
Molecular FormulaC12H25N3O3
Molecular Weight259.35 g/mol
Exact Mass259.19
IUPAC NameN-[2-(dimethylamino)-2-oxoethyl]-3-(ethylamino)-N-(2-methoxyethyl)propanamide
SMILESCCNCCC(=O)N(CCOC)CC(=O)N(C)C
InChIInChI=1S/C12H25N3O3/c1-5-13-7-6-11(16)15(8-9-18-4)10-12(17)14(2)3/h13H,5-10H2,1-4H3
InChIKeyNDDFEWDIWUWFGE-UHFFFAOYSA-N
XLogP-0.45
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 5-0.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(ethylamino)-N,N-dimethylpropanamide
CID 60926487
6-amino-N-[2-(dimethylamino)-2-oxoethyl]-N-(2-methoxyethyl)-4,4-dimethylhexanamide
CID 65290444
3-(ethylamino)-N,N-dipropylpropanamide
CID 62833888
2-[[5-(dimethylamino)-5-oxopentanoyl]-(2-methoxyethyl)amino]acetic acid
CID 119189683
N-[2-(dimethylamino)-2-oxoethyl]-N-(2-methoxyethyl)prop-2-enamide
CID 60949543
N-[2-(dimethylamino)-2-oxoethyl]-3-(propan-2-ylamino)-N-propylpropanamide
CID 54916358
2-[ethyl(2-methoxyethyl)amino]-N,N-dimethylacetamide
CID 135183389
2-[1-(aminomethyl)cyclobutyl]-N-[2-(dimethylamino)-2-oxoethyl]-N-(2-methoxyethyl)acetamide
CID 81172527
3-[[2-(dimethylamino)-2-oxoethyl]-(2-methoxyethyl)amino]-2-methyl-3-oxopropanoic acid
CID 114897564
N-[2-(dimethylamino)-2-oxoethyl]-N-(2-methoxyethyl)-2-methyl-3-(methylamino)propanamide
CID 79202084
2-amino-N-[2-(dimethylamino)-2-oxoethyl]-N-(2-methoxyethyl)-3-methylpentanamide
CID 54871190
methyl 3-[[2-(dimethylamino)-2-oxoethyl]-(2-methoxyethyl)amino]propanoate
CID 115281495

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)-2-oxoethyl]-3-(ethylamino)-N-(2-methoxyethyl)propanamide?
The IUPAC name of N-[2-(dimethylamino)-2-oxoethyl]-3-(ethylamino)-N-(2-methoxyethyl)propanamide (CID 55121481) is N-[2-(dimethylamino)-2-oxoethyl]-3-(ethylamino)-N-(2-methoxyethyl)propanamide.
What is the SMILES notation for N-[2-(dimethylamino)-2-oxoethyl]-3-(ethylamino)-N-(2-methoxyethyl)propanamide?
The canonical SMILES for N-[2-(dimethylamino)-2-oxoethyl]-3-(ethylamino)-N-(2-methoxyethyl)propanamide is CCNCCC(=O)N(CCOC)CC(=O)N(C)C.
What is the InChIKey of N-[2-(dimethylamino)-2-oxoethyl]-3-(ethylamino)-N-(2-methoxyethyl)propanamide?
The InChIKey is NDDFEWDIWUWFGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O3/c1-5-13-7-6-11(16)15(8-9-18-4)10-12(17)14(2)3/h13H,5-10H2,1-4H3.
What are the key properties of N-[2-(dimethylamino)-2-oxoethyl]-3-(ethylamino)-N-(2-methoxyethyl)propanamide?
N-[2-(dimethylamino)-2-oxoethyl]-3-(ethylamino)-N-(2-methoxyethyl)propanamide has a molecular weight of 259.35 g/mol, XLogP of -0.45, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)-2-oxoethyl]-3-(ethylamino)-N-(2-methoxyethyl)propanamide is sourced from PubChem (CID 55121481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).