N',N'-diethyl-N-(2-pyrrolidin-3-ylethyl)butanediamide

C14H27N3O2 — CID 119537644

IUPACN',N'-diethyl-N-(2-pyrrolidin-3-ylethyl)butanediamide
SMILESCCN(CC)C(=O)CCC(=O)NCCC1CCNC1
InChIInChI=1S/C14H27N3O2/c1-3-17(4-2)14(19)6-5-13(18)16-10-8-12-7-9-15-11-12/h12,15H,3-11H2,1-2H3,(H,16,18)
InChIKeyFHJXIRQPCAUFCY-UHFFFAOYSA-N
MW269.39 g/mol
LogP0.75
Rot. Bonds8

About N',N'-diethyl-N-(2-pyrrolidin-3-ylethyl)butanediamide

N',N'-diethyl-N-(2-pyrrolidin-3-ylethyl)butanediamide (PubChem CID 119537644) has the molecular formula C14H27N3O2 and a molecular weight of 269.39 g/mol. Its IUPAC name is N',N'-diethyl-N-(2-pyrrolidin-3-ylethyl)butanediamide.

Molecular Properties

Compound NameN',N'-diethyl-N-(2-pyrrolidin-3-ylethyl)butanediamide
PubChem CID119537644
Molecular FormulaC14H27N3O2
Molecular Weight269.39 g/mol
Exact Mass269.21
IUPAC NameN',N'-diethyl-N-(2-pyrrolidin-3-ylethyl)butanediamide
SMILESCCN(CC)C(=O)CCC(=O)NCCC1CCNC1
InChIInChI=1S/C14H27N3O2/c1-3-17(4-2)14(19)6-5-13(18)16-10-8-12-7-9-15-11-12/h12,15H,3-11H2,1-2H3,(H,16,18)
InChIKeyFHJXIRQPCAUFCY-UHFFFAOYSA-N
XLogP0.75
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 50.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N',N'-diethyl-N-(2-pyrrolidin-3-ylethyl)butanediamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-methoxy-N-(2-pyrrolidin-3-ylethyl)propanamide
CID 63630087
2-(diethylsulfamoyl)-N-(2-pyrrolidin-3-ylethyl)acetamide
CID 119538205
1-ethyl-1-methyl-3-(2-pyrrolidin-3-ylethyl)urea
CID 79163465
2-ethyl-N-(2-pyrrolidin-3-ylethyl)butanamide
CID 63624155
4-(4-ethoxyphenyl)-4-oxo-N-(2-pyrrolidin-3-ylethyl)butanamide
CID 119537733
4-(4-ethoxyphenoxy)-N-(2-pyrrolidin-3-ylethyl)butanamide;hydrochloride
CID 119534000
3-methoxy-N-(2-piperidin-3-ylethyl)propanamide;hydrochloride
CID 119555798
N-(2-ethylsulfinylethyl)-3-pyrrolidin-3-ylpropanamide
CID 115774837
2-propan-2-yloxy-N-(2-pyrrolidin-3-ylethyl)acetamide
CID 112701317
N-(3-propoxypropyl)-3-pyrrolidin-3-ylpropanamide
CID 82941656
N',N'-diethyl-N-methyl-N-pyrrolidin-3-ylbutanediamide
CID 119554222
N'-methyl-N-propyl-N'-pyrrolidin-3-ylbutanediamide;hydrochloride
CID 119553575

Frequently Asked Questions

What is the IUPAC name of N',N'-diethyl-N-(2-pyrrolidin-3-ylethyl)butanediamide?
The IUPAC name of N',N'-diethyl-N-(2-pyrrolidin-3-ylethyl)butanediamide (CID 119537644) is N',N'-diethyl-N-(2-pyrrolidin-3-ylethyl)butanediamide.
What is the SMILES notation for N',N'-diethyl-N-(2-pyrrolidin-3-ylethyl)butanediamide?
The canonical SMILES for N',N'-diethyl-N-(2-pyrrolidin-3-ylethyl)butanediamide is CCN(CC)C(=O)CCC(=O)NCCC1CCNC1.
What is the InChIKey of N',N'-diethyl-N-(2-pyrrolidin-3-ylethyl)butanediamide?
The InChIKey is FHJXIRQPCAUFCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O2/c1-3-17(4-2)14(19)6-5-13(18)16-10-8-12-7-9-15-11-12/h12,15H,3-11H2,1-2H3,(H,16,18).
What are the key properties of N',N'-diethyl-N-(2-pyrrolidin-3-ylethyl)butanediamide?
N',N'-diethyl-N-(2-pyrrolidin-3-ylethyl)butanediamide has a molecular weight of 269.39 g/mol, XLogP of 0.75, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N',N'-diethyl-N-(2-pyrrolidin-3-ylethyl)butanediamide is sourced from PubChem (CID 119537644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).