N,N-diethyl-3-[(3-hydroxy-2,2-dimethylcyclobutyl)amino]propanamide

C13H26N2O2 — CID 112633769

IUPACN,N-diethyl-3-[(3-hydroxy-2,2-dimethylcyclobutyl)amino]propanamide
SMILESCCN(CC)C(=O)CCNC1CC(O)C1(C)C
InChIInChI=1S/C13H26N2O2/c1-5-15(6-2)12(17)7-8-14-10-9-11(16)13(10,3)4/h10-11,14,16H,5-9H2,1-4H3
InChIKeyWQFXLFAAOSBJEZ-UHFFFAOYSA-N
MW242.36 g/mol
LogP0.99
Rot. Bonds6

About N,N-diethyl-3-[(3-hydroxy-2,2-dimethylcyclobutyl)amino]propanamide

N,N-diethyl-3-[(3-hydroxy-2,2-dimethylcyclobutyl)amino]propanamide (PubChem CID 112633769) has the molecular formula C13H26N2O2 and a molecular weight of 242.36 g/mol. Its IUPAC name is N,N-diethyl-3-[(3-hydroxy-2,2-dimethylcyclobutyl)amino]propanamide.

Molecular Properties

Compound NameN,N-diethyl-3-[(3-hydroxy-2,2-dimethylcyclobutyl)amino]propanamide
PubChem CID112633769
Molecular FormulaC13H26N2O2
Molecular Weight242.36 g/mol
Exact Mass242.20
IUPAC NameN,N-diethyl-3-[(3-hydroxy-2,2-dimethylcyclobutyl)amino]propanamide
SMILESCCN(CC)C(=O)CCNC1CC(O)C1(C)C
InChIInChI=1S/C13H26N2O2/c1-5-15(6-2)12(17)7-8-14-10-9-11(16)13(10,3)4/h10-11,14,16H,5-9H2,1-4H3
InChIKeyWQFXLFAAOSBJEZ-UHFFFAOYSA-N
XLogP0.99
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-2-[(3-hydroxy-2,2-dimethylcyclobutyl)amino]-N-methylacetamide
CID 114448903
3-(ethylamino)-2,2-dimethylcyclobutan-1-ol
CID 112633093
3-(2-methoxyethylamino)-2,2-dimethylcyclobutan-1-ol
CID 112633105
3-[(3-aminocyclobutyl)amino]-N,N-diethylpropanamide
CID 80560855
N-[2-[(3-hydroxy-2,2-dimethylcyclobutyl)amino]ethyl]-2-methylpropanamide
CID 112633271
3-[(3,3-dimethylcyclopentyl)amino]-N,N-diethylpropanamide
CID 80706316
N-ethyl-2-[(3-hydroxy-2,2-dimethylcyclobutyl)amino]ethanesulfonamide
CID 103952149
3-[2-[butan-2-yl(methyl)amino]ethylamino]-2,2-dimethylcyclobutan-1-ol
CID 103951997
3-(cyclopropylamino)-N-(3-hydroxy-2,2-dimethylcyclobutyl)propanamide
CID 114629719
3-[(4-aminocyclohexyl)amino]-N,N-diethylpropanamide
CID 79731374
2-[(3-hydroxy-2,2-dimethylcyclobutyl)amino]-N-(2-methoxyethyl)acetamide
CID 115977450
3-(2-cyclopentylethylamino)-2,2-dimethylcyclobutan-1-ol
CID 112633763

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-3-[(3-hydroxy-2,2-dimethylcyclobutyl)amino]propanamide?
The IUPAC name of N,N-diethyl-3-[(3-hydroxy-2,2-dimethylcyclobutyl)amino]propanamide (CID 112633769) is N,N-diethyl-3-[(3-hydroxy-2,2-dimethylcyclobutyl)amino]propanamide.
What is the SMILES notation for N,N-diethyl-3-[(3-hydroxy-2,2-dimethylcyclobutyl)amino]propanamide?
The canonical SMILES for N,N-diethyl-3-[(3-hydroxy-2,2-dimethylcyclobutyl)amino]propanamide is CCN(CC)C(=O)CCNC1CC(O)C1(C)C.
What is the InChIKey of N,N-diethyl-3-[(3-hydroxy-2,2-dimethylcyclobutyl)amino]propanamide?
The InChIKey is WQFXLFAAOSBJEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2/c1-5-15(6-2)12(17)7-8-14-10-9-11(16)13(10,3)4/h10-11,14,16H,5-9H2,1-4H3.
What are the key properties of N,N-diethyl-3-[(3-hydroxy-2,2-dimethylcyclobutyl)amino]propanamide?
N,N-diethyl-3-[(3-hydroxy-2,2-dimethylcyclobutyl)amino]propanamide has a molecular weight of 242.36 g/mol, XLogP of 0.99, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-3-[(3-hydroxy-2,2-dimethylcyclobutyl)amino]propanamide is sourced from PubChem (CID 112633769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).