N,N-dimethyl-4-[(3-oxo-3-pyrrolidin-1-ylpropyl)amino]butanamide

C13H25N3O2 — CID 113411347

IUPACN,N-dimethyl-4-[(3-oxo-3-pyrrolidin-1-ylpropyl)amino]butanamide
SMILESCN(C)C(=O)CCCNCCC(=O)N1CCCC1
InChIInChI=1S/C13H25N3O2/c1-15(2)12(17)6-5-8-14-9-7-13(18)16-10-3-4-11-16/h14H,3-11H2,1-2H3
InChIKeyQOGRNMOTGIJMHD-UHFFFAOYSA-N
MW255.36 g/mol
LogP0.46
Rot. Bonds7

About N,N-dimethyl-4-[(3-oxo-3-pyrrolidin-1-ylpropyl)amino]butanamide

N,N-dimethyl-4-[(3-oxo-3-pyrrolidin-1-ylpropyl)amino]butanamide (PubChem CID 113411347) has the molecular formula C13H25N3O2 and a molecular weight of 255.36 g/mol. Its IUPAC name is N,N-dimethyl-4-[(3-oxo-3-pyrrolidin-1-ylpropyl)amino]butanamide.

Molecular Properties

Compound NameN,N-dimethyl-4-[(3-oxo-3-pyrrolidin-1-ylpropyl)amino]butanamide
PubChem CID113411347
Molecular FormulaC13H25N3O2
Molecular Weight255.36 g/mol
Exact Mass255.19
IUPAC NameN,N-dimethyl-4-[(3-oxo-3-pyrrolidin-1-ylpropyl)amino]butanamide
SMILESCN(C)C(=O)CCCNCCC(=O)N1CCCC1
InChIInChI=1S/C13H25N3O2/c1-15(2)12(17)6-5-8-14-9-7-13(18)16-10-3-4-11-16/h14H,3-11H2,1-2H3
InChIKeyQOGRNMOTGIJMHD-UHFFFAOYSA-N
XLogP0.46
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 50.46
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

1-(azepan-1-yl)-3-(butylamino)propan-1-one
CID 109012440
3-[2-(dimethylamino)ethylamino]-1-pyrrolidin-1-ylpropan-1-one
CID 109013258
3-[[amino(methyl)amino]methylamino]-1-piperidin-1-ylpropan-1-one
CID 137454148
3-[(3-oxo-3-piperidin-1-ylpropyl)amino]propanamide
CID 112685112
3-(2-methylsulfonylethylamino)-1-piperidin-1-ylpropan-1-one
CID 112686467
3-(2-ethylsulfanylethylamino)-1-pyrrolidin-1-ylpropan-1-one
CID 115647680
3-(hept-6-enylamino)-1-piperidin-1-ylpropan-1-one
CID 107007094
2-[(3-oxo-3-pyrrolidin-1-ylpropyl)amino]acetic acid
CID 115581972
N,N-dimethyl-4-(2-methylsulfanylethylamino)butanamide
CID 63965989
N,N-dimethyl-3-(propan-2-ylamino)butanamide;ethane;3-(methylamino)-1-pyrrolidin-1-ylpropan-1-one
CID 163270611
1-[2-[[3-(dimethylamino)-3-oxopropyl]amino]acetyl]piperidine-4-carboxylic acid
CID 103244738
N-cyclopropyl-N-ethyl-2-[(3-oxo-3-pyrrolidin-1-ylpropyl)amino]acetamide
CID 112685260

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-[(3-oxo-3-pyrrolidin-1-ylpropyl)amino]butanamide?
The IUPAC name of N,N-dimethyl-4-[(3-oxo-3-pyrrolidin-1-ylpropyl)amino]butanamide (CID 113411347) is N,N-dimethyl-4-[(3-oxo-3-pyrrolidin-1-ylpropyl)amino]butanamide.
What is the SMILES notation for N,N-dimethyl-4-[(3-oxo-3-pyrrolidin-1-ylpropyl)amino]butanamide?
The canonical SMILES for N,N-dimethyl-4-[(3-oxo-3-pyrrolidin-1-ylpropyl)amino]butanamide is CN(C)C(=O)CCCNCCC(=O)N1CCCC1.
What is the InChIKey of N,N-dimethyl-4-[(3-oxo-3-pyrrolidin-1-ylpropyl)amino]butanamide?
The InChIKey is QOGRNMOTGIJMHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O2/c1-15(2)12(17)6-5-8-14-9-7-13(18)16-10-3-4-11-16/h14H,3-11H2,1-2H3.
What are the key properties of N,N-dimethyl-4-[(3-oxo-3-pyrrolidin-1-ylpropyl)amino]butanamide?
N,N-dimethyl-4-[(3-oxo-3-pyrrolidin-1-ylpropyl)amino]butanamide has a molecular weight of 255.36 g/mol, XLogP of 0.46, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-[(3-oxo-3-pyrrolidin-1-ylpropyl)amino]butanamide is sourced from PubChem (CID 113411347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).