N-tert-butyl-2-[ethyl-(2-hydroxy-2-methylpropyl)amino]propanamide

C13H28N2O2 — CID 79389363

IUPACN-tert-butyl-2-[ethyl-(2-hydroxy-2-methylpropyl)amino]propanamide
SMILESCCN(CC(C)(C)O)C(C)C(=O)NC(C)(C)C
InChIInChI=1S/C13H28N2O2/c1-8-15(9-13(6,7)17)10(2)11(16)14-12(3,4)5/h10,17H,8-9H2,1-7H3,(H,14,16)
InChIKeyAPJOIDRJHZDOEG-UHFFFAOYSA-N
MW244.38 g/mol
LogP1.38
Rot. Bonds5

About N-tert-butyl-2-[ethyl-(2-hydroxy-2-methylpropyl)amino]propanamide

N-tert-butyl-2-[ethyl-(2-hydroxy-2-methylpropyl)amino]propanamide (PubChem CID 79389363) has the molecular formula C13H28N2O2 and a molecular weight of 244.38 g/mol. Its IUPAC name is N-tert-butyl-2-[ethyl-(2-hydroxy-2-methylpropyl)amino]propanamide.

Molecular Properties

Compound NameN-tert-butyl-2-[ethyl-(2-hydroxy-2-methylpropyl)amino]propanamide
PubChem CID79389363
Molecular FormulaC13H28N2O2
Molecular Weight244.38 g/mol
Exact Mass244.22
IUPAC NameN-tert-butyl-2-[ethyl-(2-hydroxy-2-methylpropyl)amino]propanamide
SMILESCCN(CC(C)(C)O)C(C)C(=O)NC(C)(C)C
InChIInChI=1S/C13H28N2O2/c1-8-15(9-13(6,7)17)10(2)11(16)14-12(3,4)5/h10,17H,8-9H2,1-7H3,(H,14,16)
InChIKeyAPJOIDRJHZDOEG-UHFFFAOYSA-N
XLogP1.38
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.38
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[ethyl-(2-hydroxy-2-methylpropyl)amino]-N-(2-methylpropyl)propanamide
CID 79389367
2-[(3-amino-2-methyl-3-sulfanylidenepropyl)-ethylamino]-N-tert-butylpropanamide
CID 54987970
2-[bis(2-hydroxyethyl)amino]-N-tert-butylpropanamide
CID 60686797
2-[[1-(tert-butylamino)-1-oxopropan-2-yl]-(carboxymethyl)amino]acetic acid
CID 63645143
2-(diethylamino)-N-(2,4,4-trimethylpentan-2-yl)propanamide
CID 3031109
N-[2-(aminomethyl)phenyl]-2-[ethyl-(2-hydroxy-2-methylpropyl)amino]propanamide
CID 79380266
2-[ethyl-(2-hydroxy-2-methylpropyl)amino]propanethioamide
CID 79380798
3-[ethyl-(2-hydroxy-2-methylpropyl)amino]-2-methylbutanoic acid
CID 79414186
2-[2-aminoethyl(ethyl)amino]-N-(2-methylbutan-2-yl)propanamide
CID 61350485
3-[ethyl-[1-(2-methylbutan-2-ylamino)-1-oxopropan-2-yl]amino]-2-methylpropanoic acid
CID 62851344
2-[2-aminoethyl(2-methoxyethyl)amino]-N-tert-butylpropanamide
CID 113468478
2-[ethyl(3-hydroxypropyl)amino]-N-(2-methylbutan-2-yl)propanamide
CID 113342816

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-[ethyl-(2-hydroxy-2-methylpropyl)amino]propanamide?
The IUPAC name of N-tert-butyl-2-[ethyl-(2-hydroxy-2-methylpropyl)amino]propanamide (CID 79389363) is N-tert-butyl-2-[ethyl-(2-hydroxy-2-methylpropyl)amino]propanamide.
What is the SMILES notation for N-tert-butyl-2-[ethyl-(2-hydroxy-2-methylpropyl)amino]propanamide?
The canonical SMILES for N-tert-butyl-2-[ethyl-(2-hydroxy-2-methylpropyl)amino]propanamide is CCN(CC(C)(C)O)C(C)C(=O)NC(C)(C)C.
What is the InChIKey of N-tert-butyl-2-[ethyl-(2-hydroxy-2-methylpropyl)amino]propanamide?
The InChIKey is APJOIDRJHZDOEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O2/c1-8-15(9-13(6,7)17)10(2)11(16)14-12(3,4)5/h10,17H,8-9H2,1-7H3,(H,14,16).
What are the key properties of N-tert-butyl-2-[ethyl-(2-hydroxy-2-methylpropyl)amino]propanamide?
N-tert-butyl-2-[ethyl-(2-hydroxy-2-methylpropyl)amino]propanamide has a molecular weight of 244.38 g/mol, XLogP of 1.38, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-[ethyl-(2-hydroxy-2-methylpropyl)amino]propanamide is sourced from PubChem (CID 79389363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).