2-acetamido-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-3-methylbutanamide

C13H27N3O3 — CID 103839615

IUPAC2-acetamido-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-3-methylbutanamide
SMILESCC(=O)NC(C(=O)NCC(C)(O)CN(C)C)C(C)C
InChIInChI=1S/C13H27N3O3/c1-9(2)11(15-10(3)17)12(18)14-7-13(4,19)8-16(5)6/h9,11,19H,7-8H2,1-6H3,(H,14,18)(H,15,17)
InChIKeyGEMOLZHMPYZOIN-UHFFFAOYSA-N
MW273.38 g/mol
LogP-0.42
Rot. Bonds7

About 2-acetamido-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-3-methylbutanamide

2-acetamido-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-3-methylbutanamide (PubChem CID 103839615) has the molecular formula C13H27N3O3 and a molecular weight of 273.38 g/mol. Its IUPAC name is 2-acetamido-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-3-methylbutanamide.

Molecular Properties

Compound Name2-acetamido-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-3-methylbutanamide
PubChem CID103839615
Molecular FormulaC13H27N3O3
Molecular Weight273.38 g/mol
Exact Mass273.21
IUPAC Name2-acetamido-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-3-methylbutanamide
SMILESCC(=O)NC(C(=O)NCC(C)(O)CN(C)C)C(C)C
InChIInChI=1S/C13H27N3O3/c1-9(2)11(15-10(3)17)12(18)14-7-13(4,19)8-16(5)6/h9,11,19H,7-8H2,1-6H3,(H,14,18)(H,15,17)
InChIKeyGEMOLZHMPYZOIN-UHFFFAOYSA-N
XLogP-0.42
TPSA81.67 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 5-0.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-3,4,4-trimethylpentanamide
CID 113322168
tert-butyl 2-[(2-acetamido-3-methylbutanoyl)amino]acetate
CID 142198552
N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-2-(2,5-dimethylpyrrolidin-1-yl)propanamide
CID 71910887
ethyl 2-amino-3-[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]-3-oxopropanoate
CID 106148353
2-acetamido-3-methyl-N-(3-methylbutyl)butanamide
CID 78784334
N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-2-(methanesulfonamido)-4-methylpentanamide
CID 103840129
N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-3-methylpentanamide
CID 103525819
N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-2-propan-2-yloxyacetamide
CID 103840231
2-bromo-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-2-methylpropanamide
CID 106146098
2-(2-chlorophenoxy)-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]propanamide
CID 103839802
1-(dimethylamino)-3-[[(2R)-2-hydroxypropyl]amino]-2-methylpropan-2-ol
CID 106147817
2-amino-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-2-phenylacetamide
CID 106148425

Frequently Asked Questions

What is the IUPAC name of 2-acetamido-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-3-methylbutanamide?
The IUPAC name of 2-acetamido-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-3-methylbutanamide (CID 103839615) is 2-acetamido-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-3-methylbutanamide.
What is the SMILES notation for 2-acetamido-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-3-methylbutanamide?
The canonical SMILES for 2-acetamido-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-3-methylbutanamide is CC(=O)NC(C(=O)NCC(C)(O)CN(C)C)C(C)C.
What is the InChIKey of 2-acetamido-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-3-methylbutanamide?
The InChIKey is GEMOLZHMPYZOIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O3/c1-9(2)11(15-10(3)17)12(18)14-7-13(4,19)8-16(5)6/h9,11,19H,7-8H2,1-6H3,(H,14,18)(H,15,17).
What are the key properties of 2-acetamido-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-3-methylbutanamide?
2-acetamido-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-3-methylbutanamide has a molecular weight of 273.38 g/mol, XLogP of -0.42, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-3-methylbutanamide is sourced from PubChem (CID 103839615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).