2-[(2,3-dihydroxy-2-methylpropyl)amino]-N,N-dimethylpropanamide

C9H20N2O3 — CID 66187164

IUPAC2-[(2,3-dihydroxy-2-methylpropyl)amino]-N,N-dimethylpropanamide
SMILESCC(NCC(C)(O)CO)C(=O)N(C)C
InChIInChI=1S/C9H20N2O3/c1-7(8(13)11(3)4)10-5-9(2,14)6-12/h7,10,12,14H,5-6H2,1-4H3
InChIKeyUFWREPQXMUXVTN-UHFFFAOYSA-N
MW204.27 g/mol
LogP-1.20
Rot. Bonds5

About 2-[(2,3-dihydroxy-2-methylpropyl)amino]-N,N-dimethylpropanamide

2-[(2,3-dihydroxy-2-methylpropyl)amino]-N,N-dimethylpropanamide (PubChem CID 66187164) has the molecular formula C9H20N2O3 and a molecular weight of 204.27 g/mol. Its IUPAC name is 2-[(2,3-dihydroxy-2-methylpropyl)amino]-N,N-dimethylpropanamide.

Molecular Properties

Compound Name2-[(2,3-dihydroxy-2-methylpropyl)amino]-N,N-dimethylpropanamide
PubChem CID66187164
Molecular FormulaC9H20N2O3
Molecular Weight204.27 g/mol
Exact Mass204.15
IUPAC Name2-[(2,3-dihydroxy-2-methylpropyl)amino]-N,N-dimethylpropanamide
SMILESCC(NCC(C)(O)CO)C(=O)N(C)C
InChIInChI=1S/C9H20N2O3/c1-7(8(13)11(3)4)10-5-9(2,14)6-12/h7,10,12,14H,5-6H2,1-4H3
InChIKeyUFWREPQXMUXVTN-UHFFFAOYSA-N
XLogP-1.20
TPSA72.80 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 5-1.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(2,3-dihydroxy-2-methylpropyl)amino]-N,N-dimethylpropanamide?
The IUPAC name of 2-[(2,3-dihydroxy-2-methylpropyl)amino]-N,N-dimethylpropanamide (CID 66187164) is 2-[(2,3-dihydroxy-2-methylpropyl)amino]-N,N-dimethylpropanamide.
What is the SMILES notation for 2-[(2,3-dihydroxy-2-methylpropyl)amino]-N,N-dimethylpropanamide?
The canonical SMILES for 2-[(2,3-dihydroxy-2-methylpropyl)amino]-N,N-dimethylpropanamide is CC(NCC(C)(O)CO)C(=O)N(C)C.
What is the InChIKey of 2-[(2,3-dihydroxy-2-methylpropyl)amino]-N,N-dimethylpropanamide?
The InChIKey is UFWREPQXMUXVTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O3/c1-7(8(13)11(3)4)10-5-9(2,14)6-12/h7,10,12,14H,5-6H2,1-4H3.
What are the key properties of 2-[(2,3-dihydroxy-2-methylpropyl)amino]-N,N-dimethylpropanamide?
2-[(2,3-dihydroxy-2-methylpropyl)amino]-N,N-dimethylpropanamide has a molecular weight of 204.27 g/mol, XLogP of -1.20, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,3-dihydroxy-2-methylpropyl)amino]-N,N-dimethylpropanamide is sourced from PubChem (CID 66187164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).