4-[[2-(dimethylamino)acetyl]amino]-N,N-dimethylbutanamide

C10H21N3O2 — CID 166186517

IUPAC4-[[2-(dimethylamino)acetyl]amino]-N,N-dimethylbutanamide
SMILESCN(C)CC(=O)NCCCC(=O)N(C)C
InChIInChI=1S/C10H21N3O2/c1-12(2)8-9(14)11-7-5-6-10(15)13(3)4/h5-8H2,1-4H3,(H,11,14)
InChIKeyWGYSKGHGKDDOOW-UHFFFAOYSA-N
MW215.30 g/mol
LogP-0.47
Rot. Bonds6

About 4-[[2-(dimethylamino)acetyl]amino]-N,N-dimethylbutanamide

4-[[2-(dimethylamino)acetyl]amino]-N,N-dimethylbutanamide (PubChem CID 166186517) has the molecular formula C10H21N3O2 and a molecular weight of 215.30 g/mol. Its IUPAC name is 4-[[2-(dimethylamino)acetyl]amino]-N,N-dimethylbutanamide.

Molecular Properties

Compound Name4-[[2-(dimethylamino)acetyl]amino]-N,N-dimethylbutanamide
PubChem CID166186517
Molecular FormulaC10H21N3O2
Molecular Weight215.30 g/mol
Exact Mass215.16
IUPAC Name4-[[2-(dimethylamino)acetyl]amino]-N,N-dimethylbutanamide
SMILESCN(C)CC(=O)NCCCC(=O)N(C)C
InChIInChI=1S/C10H21N3O2/c1-12(2)8-9(14)11-7-5-6-10(15)13(3)4/h5-8H2,1-4H3,(H,11,14)
InChIKeyWGYSKGHGKDDOOW-UHFFFAOYSA-N
XLogP-0.47
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 5-0.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[4-[[4-(dimethylamino)-4-oxobutyl]amino]-4-oxobutyl]octanamide
CID 86082203
2-(dimethylamino)-N-(18-hydroxyoctadecyl)acetamide
CID 163653558
2-(dimethylamino)-N-(8-hydroxyoctyl)acetamide
CID 154671930
N,N-dimethyl-4-(methylcarbamoylamino)butanamide
CID 59006534
7-amino-N-[4-(dimethylamino)-4-oxobutyl]heptanamide;hydrochloride
CID 119748258
N-[4-(dimethylamino)-4-oxobutyl]-2,2-dimethylpropanamide
CID 60718041
2-(dimethylamino)-N-octadecylacetamide;ethane
CID 90860669
[5-(dimethylamino)-5-oxopentyl]carbamic acid
CID 87506215
N,N-dimethyl-4-(methylamino)butanamide;ethane
CID 163270647
N-(aminomethyl)-2-(dimethylamino)acetamide
CID 170647333
4-(ethylamino)-N,N-dimethylbutanamide
CID 3024993
N-(2-acetamidoethyl)-2-(dimethylamino)acetamide;ethane
CID 143571910

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(dimethylamino)acetyl]amino]-N,N-dimethylbutanamide?
The IUPAC name of 4-[[2-(dimethylamino)acetyl]amino]-N,N-dimethylbutanamide (CID 166186517) is 4-[[2-(dimethylamino)acetyl]amino]-N,N-dimethylbutanamide.
What is the SMILES notation for 4-[[2-(dimethylamino)acetyl]amino]-N,N-dimethylbutanamide?
The canonical SMILES for 4-[[2-(dimethylamino)acetyl]amino]-N,N-dimethylbutanamide is CN(C)CC(=O)NCCCC(=O)N(C)C.
What is the InChIKey of 4-[[2-(dimethylamino)acetyl]amino]-N,N-dimethylbutanamide?
The InChIKey is WGYSKGHGKDDOOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3O2/c1-12(2)8-9(14)11-7-5-6-10(15)13(3)4/h5-8H2,1-4H3,(H,11,14).
What are the key properties of 4-[[2-(dimethylamino)acetyl]amino]-N,N-dimethylbutanamide?
4-[[2-(dimethylamino)acetyl]amino]-N,N-dimethylbutanamide has a molecular weight of 215.30 g/mol, XLogP of -0.47, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(dimethylamino)acetyl]amino]-N,N-dimethylbutanamide is sourced from PubChem (CID 166186517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).