2-[bis(2-hydroxyethyl)amino]-N-tert-butylpropanamide

C11H24N2O3 — CID 60686797

IUPAC2-[bis(2-hydroxyethyl)amino]-N-tert-butylpropanamide
SMILESCC(C(=O)NC(C)(C)C)N(CCO)CCO
InChIInChI=1S/C11H24N2O3/c1-9(10(16)12-11(2,3)4)13(5-7-14)6-8-15/h9,14-15H,5-8H2,1-4H3,(H,12,16)
InChIKeyLEGYRCAULXZDQN-UHFFFAOYSA-N
MW232.32 g/mol
LogP-0.42
Rot. Bonds6

About 2-[bis(2-hydroxyethyl)amino]-N-tert-butylpropanamide

2-[bis(2-hydroxyethyl)amino]-N-tert-butylpropanamide (PubChem CID 60686797) has the molecular formula C11H24N2O3 and a molecular weight of 232.32 g/mol. Its IUPAC name is 2-[bis(2-hydroxyethyl)amino]-N-tert-butylpropanamide.

Molecular Properties

Compound Name2-[bis(2-hydroxyethyl)amino]-N-tert-butylpropanamide
PubChem CID60686797
Molecular FormulaC11H24N2O3
Molecular Weight232.32 g/mol
Exact Mass232.18
IUPAC Name2-[bis(2-hydroxyethyl)amino]-N-tert-butylpropanamide
SMILESCC(C(=O)NC(C)(C)C)N(CCO)CCO
InChIInChI=1S/C11H24N2O3/c1-9(10(16)12-11(2,3)4)13(5-7-14)6-8-15/h9,14-15H,5-8H2,1-4H3,(H,12,16)
InChIKeyLEGYRCAULXZDQN-UHFFFAOYSA-N
XLogP-0.42
TPSA72.80 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.32
LogP ≤ 5-0.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[1-(tert-butylamino)-1-oxopropan-2-yl]-(carboxymethyl)amino]acetic acid
CID 63645143
2-[2-aminoethyl(2-methoxyethyl)amino]-N-tert-butylpropanamide
CID 113468478
N-tert-butyl-2-[ethyl-(2-hydroxy-2-methylpropyl)amino]propanamide
CID 79389363
2-[2-aminoethyl(methyl)amino]-N-tert-butylpropanamide
CID 61348533
2-[ethyl(3-hydroxypropyl)amino]-N-(2-methylbutan-2-yl)propanamide
CID 113342816
2-[3-aminopropyl(methyl)amino]-N-tert-butylpropanamide
CID 43116493
2-[butyl(2-hydroxyethyl)amino]-N-pentylpropanamide
CID 62016391
2-[2-hydroxyethyl(propyl)amino]-N-pentan-2-ylpropanamide
CID 62014640
2-[2-hydroxyethyl(propyl)amino]-N-pentan-3-ylpropanamide
CID 62014639
2-[(3-amino-2-methyl-3-sulfanylidenepropyl)-ethylamino]-N-tert-butylpropanamide
CID 54987970
2-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]propanehydrazide
CID 107493147
N-cyclopropyl-2-[2-hydroxyethyl(propyl)amino]propanamide
CID 60691805

Frequently Asked Questions

What is the IUPAC name of 2-[bis(2-hydroxyethyl)amino]-N-tert-butylpropanamide?
The IUPAC name of 2-[bis(2-hydroxyethyl)amino]-N-tert-butylpropanamide (CID 60686797) is 2-[bis(2-hydroxyethyl)amino]-N-tert-butylpropanamide.
What is the SMILES notation for 2-[bis(2-hydroxyethyl)amino]-N-tert-butylpropanamide?
The canonical SMILES for 2-[bis(2-hydroxyethyl)amino]-N-tert-butylpropanamide is CC(C(=O)NC(C)(C)C)N(CCO)CCO.
What is the InChIKey of 2-[bis(2-hydroxyethyl)amino]-N-tert-butylpropanamide?
The InChIKey is LEGYRCAULXZDQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O3/c1-9(10(16)12-11(2,3)4)13(5-7-14)6-8-15/h9,14-15H,5-8H2,1-4H3,(H,12,16).
What are the key properties of 2-[bis(2-hydroxyethyl)amino]-N-tert-butylpropanamide?
2-[bis(2-hydroxyethyl)amino]-N-tert-butylpropanamide has a molecular weight of 232.32 g/mol, XLogP of -0.42, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[bis(2-hydroxyethyl)amino]-N-tert-butylpropanamide is sourced from PubChem (CID 60686797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).