N-tert-butyl-3-[(3-hydroxy-2-methylpropyl)amino]propanamide

C11H24N2O2 — CID 115605400

IUPACN-tert-butyl-3-[(3-hydroxy-2-methylpropyl)amino]propanamide
SMILESCC(CO)CNCCC(=O)NC(C)(C)C
InChIInChI=1S/C11H24N2O2/c1-9(8-14)7-12-6-5-10(15)13-11(2,3)4/h9,12,14H,5-8H2,1-4H3,(H,13,15)
InChIKeyZTKZYQCMOXMAQX-UHFFFAOYSA-N
MW216.32 g/mol
LogP0.51
Rot. Bonds6

About N-tert-butyl-3-[(3-hydroxy-2-methylpropyl)amino]propanamide

N-tert-butyl-3-[(3-hydroxy-2-methylpropyl)amino]propanamide (PubChem CID 115605400) has the molecular formula C11H24N2O2 and a molecular weight of 216.32 g/mol. Its IUPAC name is N-tert-butyl-3-[(3-hydroxy-2-methylpropyl)amino]propanamide.

Molecular Properties

Compound NameN-tert-butyl-3-[(3-hydroxy-2-methylpropyl)amino]propanamide
PubChem CID115605400
Molecular FormulaC11H24N2O2
Molecular Weight216.32 g/mol
Exact Mass216.18
IUPAC NameN-tert-butyl-3-[(3-hydroxy-2-methylpropyl)amino]propanamide
SMILESCC(CO)CNCCC(=O)NC(C)(C)C
InChIInChI=1S/C11H24N2O2/c1-9(8-14)7-12-6-5-10(15)13-11(2,3)4/h9,12,14H,5-8H2,1-4H3,(H,13,15)
InChIKeyZTKZYQCMOXMAQX-UHFFFAOYSA-N
XLogP0.51
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.32
LogP ≤ 50.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-tert-butyl-3-(2-methylbutylamino)propanamide
CID 115887441
N-tert-butyl-3-[[(2R)-2-hydroxypropyl]amino]propanamide
CID 106932485
N-tert-butyl-3-(2-ethylbutylamino)propanamide
CID 115756724
N-tert-butyl-3-(2-hydroxyethylamino)propanamide
CID 112688508
N-tert-butyl-3-(2-propan-2-ylsulfonylethylamino)propanamide
CID 106724338
5-[[3-(tert-butylamino)-3-oxopropyl]amino]pentanoic acid
CID 103263111
3-[(3-butoxy-2-hydroxypropyl)amino]-N-tert-butylpropanamide
CID 107263051
N,N'-ditert-butylhexanediamide
CID 3593481
N-tert-butyl-3-[(3,3-difluorocyclopentyl)methylamino]propanamide
CID 114223914
N-tert-butyl-4-hydroxybutanamide
CID 11829724
(2R)-3-(2-aminoethylamino)-2-methylpropan-1-ol
CID 58592003
N-ethyl-3-[(4-hydroxy-2-methylbutyl)amino]propanamide
CID 66091624

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-3-[(3-hydroxy-2-methylpropyl)amino]propanamide?
The IUPAC name of N-tert-butyl-3-[(3-hydroxy-2-methylpropyl)amino]propanamide (CID 115605400) is N-tert-butyl-3-[(3-hydroxy-2-methylpropyl)amino]propanamide.
What is the SMILES notation for N-tert-butyl-3-[(3-hydroxy-2-methylpropyl)amino]propanamide?
The canonical SMILES for N-tert-butyl-3-[(3-hydroxy-2-methylpropyl)amino]propanamide is CC(CO)CNCCC(=O)NC(C)(C)C.
What is the InChIKey of N-tert-butyl-3-[(3-hydroxy-2-methylpropyl)amino]propanamide?
The InChIKey is ZTKZYQCMOXMAQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O2/c1-9(8-14)7-12-6-5-10(15)13-11(2,3)4/h9,12,14H,5-8H2,1-4H3,(H,13,15).
What are the key properties of N-tert-butyl-3-[(3-hydroxy-2-methylpropyl)amino]propanamide?
N-tert-butyl-3-[(3-hydroxy-2-methylpropyl)amino]propanamide has a molecular weight of 216.32 g/mol, XLogP of 0.51, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-3-[(3-hydroxy-2-methylpropyl)amino]propanamide is sourced from PubChem (CID 115605400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).