2-(dimethylamino)-N-(3-oxopropyl)acetamide

C7H14N2O2 — CID 87106405

IUPAC2-(dimethylamino)-N-(3-oxopropyl)acetamide
SMILESCN(C)CC(=O)NCCC=O
InChIInChI=1S/C7H14N2O2/c1-9(2)6-7(11)8-4-3-5-10/h5H,3-4,6H2,1-2H3,(H,8,11)
InChIKeyLUWSIMPGMCUDMK-UHFFFAOYSA-N
MW158.20 g/mol
LogP-0.75
Rot. Bonds5

About 2-(dimethylamino)-N-(3-oxopropyl)acetamide

2-(dimethylamino)-N-(3-oxopropyl)acetamide (PubChem CID 87106405) has the molecular formula C7H14N2O2 and a molecular weight of 158.20 g/mol. Its IUPAC name is 2-(dimethylamino)-N-(3-oxopropyl)acetamide.

Molecular Properties

Compound Name2-(dimethylamino)-N-(3-oxopropyl)acetamide
PubChem CID87106405
Molecular FormulaC7H14N2O2
Molecular Weight158.20 g/mol
Exact Mass158.11
IUPAC Name2-(dimethylamino)-N-(3-oxopropyl)acetamide
SMILESCN(C)CC(=O)NCCC=O
InChIInChI=1S/C7H14N2O2/c1-9(2)6-7(11)8-4-3-5-10/h5H,3-4,6H2,1-2H3,(H,8,11)
InChIKeyLUWSIMPGMCUDMK-UHFFFAOYSA-N
XLogP-0.75
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.20
LogP ≤ 5-0.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

bis(carbon dioxide);2-(dimethylamino)-N-(3-oxopropyl)acetamide
CID 158308072
3-(dimethylamino)-N-(3-oxopropyl)propanamide
CID 142174059
N-(2-acetamidoethyl)-2-(dimethylamino)acetamide;ethane
CID 143571910
2-[2-[bis(carboxymethyl)amino]ethyl-[2-[carboxymethyl-[2-oxo-2-(3-oxopropylamino)ethyl]amino]ethyl]amino]acetic acid
CID 21305876
2-[methyl(3-oxopropyl)amino]-N-propylacetamide
CID 63040548
2-(dimethylamino)-N-(18-hydroxyoctadecyl)acetamide
CID 163653558
2-(dimethylamino)-N-(8-hydroxyoctyl)acetamide
CID 154671930
N-(aminomethyl)-2-(dimethylamino)acetamide
CID 170647333
2-(dimethylamino)-N-octadecylacetamide;ethane
CID 90860669
4-[[2-(dimethylamino)acetyl]amino]-N,N-dimethylbutanamide
CID 166186517
N-(3-oxopropyl)octanamide
CID 163482929
N-[2-(cycloheptylamino)ethyl]-2-(dimethylamino)acetamide
CID 113283329

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-N-(3-oxopropyl)acetamide?
The IUPAC name of 2-(dimethylamino)-N-(3-oxopropyl)acetamide (CID 87106405) is 2-(dimethylamino)-N-(3-oxopropyl)acetamide.
What is the SMILES notation for 2-(dimethylamino)-N-(3-oxopropyl)acetamide?
The canonical SMILES for 2-(dimethylamino)-N-(3-oxopropyl)acetamide is CN(C)CC(=O)NCCC=O.
What is the InChIKey of 2-(dimethylamino)-N-(3-oxopropyl)acetamide?
The InChIKey is LUWSIMPGMCUDMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O2/c1-9(2)6-7(11)8-4-3-5-10/h5H,3-4,6H2,1-2H3,(H,8,11).
What are the key properties of 2-(dimethylamino)-N-(3-oxopropyl)acetamide?
2-(dimethylamino)-N-(3-oxopropyl)acetamide has a molecular weight of 158.20 g/mol, XLogP of -0.75, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-N-(3-oxopropyl)acetamide is sourced from PubChem (CID 87106405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).