3-amino-3-cyclopropyl-N-(4-hydroxy-2,2-dimethylbutyl)propanamide

C12H24N2O2 — CID 106148074

IUPAC3-amino-3-cyclopropyl-N-(4-hydroxy-2,2-dimethylbutyl)propanamide
SMILESCC(C)(CCO)CNC(=O)CC(N)C1CC1
InChIInChI=1S/C12H24N2O2/c1-12(2,5-6-15)8-14-11(16)7-10(13)9-3-4-9/h9-10,15H,3-8,13H2,1-2H3,(H,14,16)
InChIKeyPAUMGRKLWVFLNU-UHFFFAOYSA-N
MW228.34 g/mol
LogP0.64
Rot. Bonds7

About 3-amino-3-cyclopropyl-N-(4-hydroxy-2,2-dimethylbutyl)propanamide

3-amino-3-cyclopropyl-N-(4-hydroxy-2,2-dimethylbutyl)propanamide (PubChem CID 106148074) has the molecular formula C12H24N2O2 and a molecular weight of 228.34 g/mol. Its IUPAC name is 3-amino-3-cyclopropyl-N-(4-hydroxy-2,2-dimethylbutyl)propanamide.

Molecular Properties

Compound Name3-amino-3-cyclopropyl-N-(4-hydroxy-2,2-dimethylbutyl)propanamide
PubChem CID106148074
Molecular FormulaC12H24N2O2
Molecular Weight228.34 g/mol
Exact Mass228.18
IUPAC Name3-amino-3-cyclopropyl-N-(4-hydroxy-2,2-dimethylbutyl)propanamide
SMILESCC(C)(CCO)CNC(=O)CC(N)C1CC1
InChIInChI=1S/C12H24N2O2/c1-12(2,5-6-15)8-14-11(16)7-10(13)9-3-4-9/h9-10,15H,3-8,13H2,1-2H3,(H,14,16)
InChIKeyPAUMGRKLWVFLNU-UHFFFAOYSA-N
XLogP0.64
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 50.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-3-cyclopropyl-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]propanamide
CID 114150174
3-amino-3-cyclopropyl-N-(2,3,3-trimethylbutyl)propanamide
CID 83141491
3-amino-3-cyclopropyl-N-(4-hydroxybutyl)propanamide
CID 106841999
3-amino-N-(5-hydroxy-2,2-dimethylpentyl)butanamide
CID 106148250
N-(4-hydroxy-2,2-dimethylbutyl)-3-piperidin-4-ylpropanamide
CID 114150053
(3S)-3-(aminomethyl)-N-(4-hydroxy-2,2-dimethylbutyl)-5-methylhexanamide
CID 114150065
3-chloro-N-(4-hydroxy-2,2-dimethylbutyl)propanamide
CID 106145976
N-(4-hydroxy-2,2-dimethylbutyl)cyclopentanecarboxamide
CID 103772299
2-amino-N-(4-hydroxy-2,2-dimethylbutyl)-3-methylbutanamide
CID 106147902
1-cyclopropyl-3-(4-hydroxy-2,2-dimethylbutyl)urea
CID 103708347
3-amino-3-cyclopropyl-N-(thiolan-3-ylmethyl)propanamide
CID 107296077
1-(1-cyclohexylethyl)-3-(4-hydroxy-2,2-dimethylbutyl)urea
CID 111507119

Frequently Asked Questions

What is the IUPAC name of 3-amino-3-cyclopropyl-N-(4-hydroxy-2,2-dimethylbutyl)propanamide?
The IUPAC name of 3-amino-3-cyclopropyl-N-(4-hydroxy-2,2-dimethylbutyl)propanamide (CID 106148074) is 3-amino-3-cyclopropyl-N-(4-hydroxy-2,2-dimethylbutyl)propanamide.
What is the SMILES notation for 3-amino-3-cyclopropyl-N-(4-hydroxy-2,2-dimethylbutyl)propanamide?
The canonical SMILES for 3-amino-3-cyclopropyl-N-(4-hydroxy-2,2-dimethylbutyl)propanamide is CC(C)(CCO)CNC(=O)CC(N)C1CC1.
What is the InChIKey of 3-amino-3-cyclopropyl-N-(4-hydroxy-2,2-dimethylbutyl)propanamide?
The InChIKey is PAUMGRKLWVFLNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2/c1-12(2,5-6-15)8-14-11(16)7-10(13)9-3-4-9/h9-10,15H,3-8,13H2,1-2H3,(H,14,16).
What are the key properties of 3-amino-3-cyclopropyl-N-(4-hydroxy-2,2-dimethylbutyl)propanamide?
3-amino-3-cyclopropyl-N-(4-hydroxy-2,2-dimethylbutyl)propanamide has a molecular weight of 228.34 g/mol, XLogP of 0.64, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-3-cyclopropyl-N-(4-hydroxy-2,2-dimethylbutyl)propanamide is sourced from PubChem (CID 106148074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).