3-(tert-butylamino)-N-(2-hydroxyethyl)-N-propylpropanamide

C12H26N2O2 — CID 60945491

IUPAC3-(tert-butylamino)-N-(2-hydroxyethyl)-N-propylpropanamide
SMILESCCCN(CCO)C(=O)CCNC(C)(C)C
InChIInChI=1S/C12H26N2O2/c1-5-8-14(9-10-15)11(16)6-7-13-12(2,3)4/h13,15H,5-10H2,1-4H3
InChIKeyJKIDFGAWGRUEJB-UHFFFAOYSA-N
MW230.35 g/mol
LogP1.00
Rot. Bonds7

About 3-(tert-butylamino)-N-(2-hydroxyethyl)-N-propylpropanamide

3-(tert-butylamino)-N-(2-hydroxyethyl)-N-propylpropanamide (PubChem CID 60945491) has the molecular formula C12H26N2O2 and a molecular weight of 230.35 g/mol. Its IUPAC name is 3-(tert-butylamino)-N-(2-hydroxyethyl)-N-propylpropanamide.

Molecular Properties

Compound Name3-(tert-butylamino)-N-(2-hydroxyethyl)-N-propylpropanamide
PubChem CID60945491
Molecular FormulaC12H26N2O2
Molecular Weight230.35 g/mol
Exact Mass230.20
IUPAC Name3-(tert-butylamino)-N-(2-hydroxyethyl)-N-propylpropanamide
SMILESCCCN(CCO)C(=O)CCNC(C)(C)C
InChIInChI=1S/C12H26N2O2/c1-5-8-14(9-10-15)11(16)6-7-13-12(2,3)4/h13,15H,5-10H2,1-4H3
InChIKeyJKIDFGAWGRUEJB-UHFFFAOYSA-N
XLogP1.00
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.35
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-butyl-3-(tert-butylamino)-N-(2-hydroxyethyl)propanamide
CID 54870894
3-(ethylamino)-N,N-dipropylpropanamide
CID 62833888
N,N-bis(2-hydroxyethyl)butanamide
CID 14455174
N-butyl-N-[4-(tert-butylamino)butyl]butanamide
CID 89364805
3-(tert-butylamino)-N-ethyl-N-(2-hydroxy-2-methylpropyl)propanamide
CID 79377535
N-(2-hydroxyethyl)-4-methoxy-N-propylbutanamide
CID 112729251
3-(tert-butylamino)-N-(3-hydroxypropyl)-N-propan-2-ylpropanamide
CID 54916197
N-[4-[bis(2-hydroxyethyl)amino]-4-oxobutyl]-2,2-dimethylpropanamide
CID 61234331
N,N-bis(2-hydroxyethyl)dodecanamide;2-(2-hydroxyethylamino)ethanol
CID 56843583
4-tert-butyl-N-[3-[ethyl(2-hydroxyethyl)amino]-3-oxopropyl]benzamide
CID 78796540
6-amino-N-butyl-N-(2-hydroxyethyl)-4,4-dimethylhexanamide
CID 65290826
3-(tert-butylamino)-N-methyl-N-(2-methylbutyl)propanamide
CID 60850241

Frequently Asked Questions

What is the IUPAC name of 3-(tert-butylamino)-N-(2-hydroxyethyl)-N-propylpropanamide?
The IUPAC name of 3-(tert-butylamino)-N-(2-hydroxyethyl)-N-propylpropanamide (CID 60945491) is 3-(tert-butylamino)-N-(2-hydroxyethyl)-N-propylpropanamide.
What is the SMILES notation for 3-(tert-butylamino)-N-(2-hydroxyethyl)-N-propylpropanamide?
The canonical SMILES for 3-(tert-butylamino)-N-(2-hydroxyethyl)-N-propylpropanamide is CCCN(CCO)C(=O)CCNC(C)(C)C.
What is the InChIKey of 3-(tert-butylamino)-N-(2-hydroxyethyl)-N-propylpropanamide?
The InChIKey is JKIDFGAWGRUEJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O2/c1-5-8-14(9-10-15)11(16)6-7-13-12(2,3)4/h13,15H,5-10H2,1-4H3.
What are the key properties of 3-(tert-butylamino)-N-(2-hydroxyethyl)-N-propylpropanamide?
3-(tert-butylamino)-N-(2-hydroxyethyl)-N-propylpropanamide has a molecular weight of 230.35 g/mol, XLogP of 1.00, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(tert-butylamino)-N-(2-hydroxyethyl)-N-propylpropanamide is sourced from PubChem (CID 60945491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).