2-amino-N-(2-hydroxy-2-methylpropyl)-N-methylbutanamide

C9H20N2O2 — CID 79377752

IUPAC2-amino-N-(2-hydroxy-2-methylpropyl)-N-methylbutanamide
SMILESCCC(N)C(=O)N(C)CC(C)(C)O
InChIInChI=1S/C9H20N2O2/c1-5-7(10)8(12)11(4)6-9(2,3)13/h7,13H,5-6,10H2,1-4H3
InChIKeyPKILSUGJWNIFCM-UHFFFAOYSA-N
MW188.27 g/mol
LogP-0.05
Rot. Bonds4

About 2-amino-N-(2-hydroxy-2-methylpropyl)-N-methylbutanamide

2-amino-N-(2-hydroxy-2-methylpropyl)-N-methylbutanamide (PubChem CID 79377752) has the molecular formula C9H20N2O2 and a molecular weight of 188.27 g/mol. Its IUPAC name is 2-amino-N-(2-hydroxy-2-methylpropyl)-N-methylbutanamide.

Molecular Properties

Compound Name2-amino-N-(2-hydroxy-2-methylpropyl)-N-methylbutanamide
PubChem CID79377752
Molecular FormulaC9H20N2O2
Molecular Weight188.27 g/mol
Exact Mass188.15
IUPAC Name2-amino-N-(2-hydroxy-2-methylpropyl)-N-methylbutanamide
SMILESCCC(N)C(=O)N(C)CC(C)(C)O
InChIInChI=1S/C9H20N2O2/c1-5-7(10)8(12)11(4)6-9(2,3)13/h7,13H,5-6,10H2,1-4H3
InChIKeyPKILSUGJWNIFCM-UHFFFAOYSA-N
XLogP-0.05
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 5-0.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-N-(2-hydroxy-2-methylpropyl)-N,3-dimethylbutanamide
CID 79377276
2-carbamothioyl-N-(2-hydroxy-2-methylpropyl)-N-methylbutanamide
CID 79378078
2-amino-N-(2-hydroxy-2-methylpropyl)-N-methyl-3-phenylpropanamide
CID 79379287
(2S)-2-amino-N-methyl-N-propylbutanamide
CID 79025089
(2S)-2-amino-N-(2-hydroxy-2-methylpropyl)-3-(4-hydroxyphenyl)-N-methylpropanamide
CID 79379558
(2R)-2-amino-N-(2-hydroxy-2-methylpropyl)-3-(4-hydroxyphenyl)-N-methylpropanamide
CID 104905331
(2S)-2-amino-N-(2-amino-2-oxoethyl)-N-methylbutanamide
CID 79025132
2-amino-N-(2-amino-2-oxoethyl)-N-methylbutanamide
CID 43649583
2-amino-N,N-dimethylbutanamide
CID 43649466
6-amino-4-ethyl-N-(2-hydroxy-2-methylpropyl)-N-methylhexanamide
CID 79379037
(2R)-2-amino-N-methyl-N-(2,2,2-trifluoroethyl)pentanamide
CID 107568767
N-(2-hydroxy-2-methylpropyl)-N-methylcarbamoyl iodide
CID 167219999

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(2-hydroxy-2-methylpropyl)-N-methylbutanamide?
The IUPAC name of 2-amino-N-(2-hydroxy-2-methylpropyl)-N-methylbutanamide (CID 79377752) is 2-amino-N-(2-hydroxy-2-methylpropyl)-N-methylbutanamide.
What is the SMILES notation for 2-amino-N-(2-hydroxy-2-methylpropyl)-N-methylbutanamide?
The canonical SMILES for 2-amino-N-(2-hydroxy-2-methylpropyl)-N-methylbutanamide is CCC(N)C(=O)N(C)CC(C)(C)O.
What is the InChIKey of 2-amino-N-(2-hydroxy-2-methylpropyl)-N-methylbutanamide?
The InChIKey is PKILSUGJWNIFCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O2/c1-5-7(10)8(12)11(4)6-9(2,3)13/h7,13H,5-6,10H2,1-4H3.
What are the key properties of 2-amino-N-(2-hydroxy-2-methylpropyl)-N-methylbutanamide?
2-amino-N-(2-hydroxy-2-methylpropyl)-N-methylbutanamide has a molecular weight of 188.27 g/mol, XLogP of -0.05, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(2-hydroxy-2-methylpropyl)-N-methylbutanamide is sourced from PubChem (CID 79377752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).