3-(tert-butylamino)-N-ethyl-N-(2-hydroxy-2-methylpropyl)propanamide

C13H28N2O2 — CID 79377535

IUPAC3-(tert-butylamino)-N-ethyl-N-(2-hydroxy-2-methylpropyl)propanamide
SMILESCCN(CC(C)(C)O)C(=O)CCNC(C)(C)C
InChIInChI=1S/C13H28N2O2/c1-7-15(10-13(5,6)17)11(16)8-9-14-12(2,3)4/h14,17H,7-10H2,1-6H3
InChIKeyQBGRHHZDEBYPQS-UHFFFAOYSA-N
MW244.38 g/mol
LogP1.38
Rot. Bonds6

About 3-(tert-butylamino)-N-ethyl-N-(2-hydroxy-2-methylpropyl)propanamide

3-(tert-butylamino)-N-ethyl-N-(2-hydroxy-2-methylpropyl)propanamide (PubChem CID 79377535) has the molecular formula C13H28N2O2 and a molecular weight of 244.38 g/mol. Its IUPAC name is 3-(tert-butylamino)-N-ethyl-N-(2-hydroxy-2-methylpropyl)propanamide.

Molecular Properties

Compound Name3-(tert-butylamino)-N-ethyl-N-(2-hydroxy-2-methylpropyl)propanamide
PubChem CID79377535
Molecular FormulaC13H28N2O2
Molecular Weight244.38 g/mol
Exact Mass244.22
IUPAC Name3-(tert-butylamino)-N-ethyl-N-(2-hydroxy-2-methylpropyl)propanamide
SMILESCCN(CC(C)(C)O)C(=O)CCNC(C)(C)C
InChIInChI=1S/C13H28N2O2/c1-7-15(10-13(5,6)17)11(16)8-9-14-12(2,3)4/h14,17H,7-10H2,1-6H3
InChIKeyQBGRHHZDEBYPQS-UHFFFAOYSA-N
XLogP1.38
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
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

N-[4-[ethyl-(2-hydroxy-2-methylpropyl)amino]-4-oxobutyl]-2,2-dimethylpropanamide
CID 79387815
3-[ethyl-(2-hydroxy-2-methylpropyl)amino]-3-oxopropanoic acid
CID 79385431
6-amino-N-ethyl-N-(2-hydroxy-2-methylpropyl)-4,4-dimethylhexanamide
CID 79379068
N-ethyl-N-(2-hydroxy-2-methylpropyl)pent-4-ynamide
CID 106741540
3-(tert-butylamino)-N-(2-hydroxyethyl)-N-propylpropanamide
CID 60945491
N-ethyl-N-(2-hydroxy-2-methylpropyl)-3-methylbutanamide
CID 79387562
N-butyl-3-(tert-butylamino)-N-(2-hydroxyethyl)propanamide
CID 54870894
2-cyano-N-ethyl-N-(2-hydroxy-2-methylpropyl)acetamide
CID 79377312
3-[[ethyl-(2-hydroxy-2-methylpropyl)carbamoyl]amino]propanoic acid
CID 79386088
N-[(5-bromothiophen-2-yl)methyl]-3-(tert-butylamino)-N-ethylpropanamide
CID 54869367
2-(tert-butylamino)-N,N-diethylacetamide
CID 28586539
3-(tert-butylamino)-N-methyl-N-(2-methylbutyl)propanamide
CID 60850241

Frequently Asked Questions

What is the IUPAC name of 3-(tert-butylamino)-N-ethyl-N-(2-hydroxy-2-methylpropyl)propanamide?
The IUPAC name of 3-(tert-butylamino)-N-ethyl-N-(2-hydroxy-2-methylpropyl)propanamide (CID 79377535) is 3-(tert-butylamino)-N-ethyl-N-(2-hydroxy-2-methylpropyl)propanamide.
What is the SMILES notation for 3-(tert-butylamino)-N-ethyl-N-(2-hydroxy-2-methylpropyl)propanamide?
The canonical SMILES for 3-(tert-butylamino)-N-ethyl-N-(2-hydroxy-2-methylpropyl)propanamide is CCN(CC(C)(C)O)C(=O)CCNC(C)(C)C.
What is the InChIKey of 3-(tert-butylamino)-N-ethyl-N-(2-hydroxy-2-methylpropyl)propanamide?
The InChIKey is QBGRHHZDEBYPQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O2/c1-7-15(10-13(5,6)17)11(16)8-9-14-12(2,3)4/h14,17H,7-10H2,1-6H3.
What are the key properties of 3-(tert-butylamino)-N-ethyl-N-(2-hydroxy-2-methylpropyl)propanamide?
3-(tert-butylamino)-N-ethyl-N-(2-hydroxy-2-methylpropyl)propanamide has a molecular weight of 244.38 g/mol, XLogP of 1.38, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(tert-butylamino)-N-ethyl-N-(2-hydroxy-2-methylpropyl)propanamide is sourced from PubChem (CID 79377535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).