N-butyl-3-(tert-butylamino)-N-(2-hydroxyethyl)propanamide

C13H28N2O2 — CID 54870894

IUPACN-butyl-3-(tert-butylamino)-N-(2-hydroxyethyl)propanamide
SMILESCCCCN(CCO)C(=O)CCNC(C)(C)C
InChIInChI=1S/C13H28N2O2/c1-5-6-9-15(10-11-16)12(17)7-8-14-13(2,3)4/h14,16H,5-11H2,1-4H3
InChIKeyOUYFJLSYFMBSDJ-UHFFFAOYSA-N
MW244.38 g/mol
LogP1.39
Rot. Bonds8

About N-butyl-3-(tert-butylamino)-N-(2-hydroxyethyl)propanamide

N-butyl-3-(tert-butylamino)-N-(2-hydroxyethyl)propanamide (PubChem CID 54870894) has the molecular formula C13H28N2O2 and a molecular weight of 244.38 g/mol. Its IUPAC name is N-butyl-3-(tert-butylamino)-N-(2-hydroxyethyl)propanamide.

Molecular Properties

Compound NameN-butyl-3-(tert-butylamino)-N-(2-hydroxyethyl)propanamide
PubChem CID54870894
Molecular FormulaC13H28N2O2
Molecular Weight244.38 g/mol
Exact Mass244.22
IUPAC NameN-butyl-3-(tert-butylamino)-N-(2-hydroxyethyl)propanamide
SMILESCCCCN(CCO)C(=O)CCNC(C)(C)C
InChIInChI=1S/C13H28N2O2/c1-5-6-9-15(10-11-16)12(17)7-8-14-13(2,3)4/h14,16H,5-11H2,1-4H3
InChIKeyOUYFJLSYFMBSDJ-UHFFFAOYSA-N
XLogP1.39
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.38
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(tert-butylamino)-N-(2-hydroxyethyl)-N-propylpropanamide
CID 60945491
N-butyl-N-[4-(tert-butylamino)butyl]butanamide
CID 89364805
6-amino-N-butyl-N-(2-hydroxyethyl)-4,4-dimethylhexanamide
CID 65290826
3-amino-N-butyl-N-(2-hydroxyethyl)-3-methylbutanamide
CID 64684879
N,N-bis(2-hydroxyethyl)butanamide
CID 14455174
N,N-bis(2-hydroxyethyl)dodecanamide;2-(2-hydroxyethylamino)ethanol
CID 56843583
5-amino-N-butyl-N-(2-hydroxyethyl)hexanamide
CID 82851620
3-amino-N-hexyl-N-(2-hydroxyethyl)propanamide
CID 60962564
3-(tert-butylamino)-N-ethyl-N-(2-hydroxy-2-methylpropyl)propanamide
CID 79377535
3-[decanoyl(2-hydroxyethyl)amino]propanoic acid
CID 132595707
3-(tert-butylamino)-N-(3-hydroxypropyl)-N-propan-2-ylpropanamide
CID 54916197
N-butyl-N-(2-hydroxyethyl)-2-methoxyacetamide
CID 20697100

Frequently Asked Questions

What is the IUPAC name of N-butyl-3-(tert-butylamino)-N-(2-hydroxyethyl)propanamide?
The IUPAC name of N-butyl-3-(tert-butylamino)-N-(2-hydroxyethyl)propanamide (CID 54870894) is N-butyl-3-(tert-butylamino)-N-(2-hydroxyethyl)propanamide.
What is the SMILES notation for N-butyl-3-(tert-butylamino)-N-(2-hydroxyethyl)propanamide?
The canonical SMILES for N-butyl-3-(tert-butylamino)-N-(2-hydroxyethyl)propanamide is CCCCN(CCO)C(=O)CCNC(C)(C)C.
What is the InChIKey of N-butyl-3-(tert-butylamino)-N-(2-hydroxyethyl)propanamide?
The InChIKey is OUYFJLSYFMBSDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O2/c1-5-6-9-15(10-11-16)12(17)7-8-14-13(2,3)4/h14,16H,5-11H2,1-4H3.
What are the key properties of N-butyl-3-(tert-butylamino)-N-(2-hydroxyethyl)propanamide?
N-butyl-3-(tert-butylamino)-N-(2-hydroxyethyl)propanamide has a molecular weight of 244.38 g/mol, XLogP of 1.39, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-3-(tert-butylamino)-N-(2-hydroxyethyl)propanamide is sourced from PubChem (CID 54870894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).