N-[1-(2,3-dihydroxypropylamino)ethyl]-2-methylpropanamide

C9H20N2O3 — CID 23046097

IUPACN-[1-(2,3-dihydroxypropylamino)ethyl]-2-methylpropanamide
SMILESCC(NCC(O)CO)NC(=O)C(C)C
InChIInChI=1S/C9H20N2O3/c1-6(2)9(14)11-7(3)10-4-8(13)5-12/h6-8,10,12-13H,4-5H2,1-3H3,(H,11,14)
InChIKeyIYWDPMOBOJROOC-UHFFFAOYSA-N
MW204.27 g/mol
LogP-0.95
Rot. Bonds6

About N-[1-(2,3-dihydroxypropylamino)ethyl]-2-methylpropanamide

N-[1-(2,3-dihydroxypropylamino)ethyl]-2-methylpropanamide (PubChem CID 23046097) has the molecular formula C9H20N2O3 and a molecular weight of 204.27 g/mol. Its IUPAC name is N-[1-(2,3-dihydroxypropylamino)ethyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[1-(2,3-dihydroxypropylamino)ethyl]-2-methylpropanamide
PubChem CID23046097
Molecular FormulaC9H20N2O3
Molecular Weight204.27 g/mol
Exact Mass204.15
IUPAC NameN-[1-(2,3-dihydroxypropylamino)ethyl]-2-methylpropanamide
SMILESCC(NCC(O)CO)NC(=O)C(C)C
InChIInChI=1S/C9H20N2O3/c1-6(2)9(14)11-7(3)10-4-8(13)5-12/h6-8,10,12-13H,4-5H2,1-3H3,(H,11,14)
InChIKeyIYWDPMOBOJROOC-UHFFFAOYSA-N
XLogP-0.95
TPSA81.59 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 5-0.95
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[1-(2,3-dihydroxypropylamino)ethyl]-2-methylpropanamide?
The IUPAC name of N-[1-(2,3-dihydroxypropylamino)ethyl]-2-methylpropanamide (CID 23046097) is N-[1-(2,3-dihydroxypropylamino)ethyl]-2-methylpropanamide.
What is the SMILES notation for N-[1-(2,3-dihydroxypropylamino)ethyl]-2-methylpropanamide?
The canonical SMILES for N-[1-(2,3-dihydroxypropylamino)ethyl]-2-methylpropanamide is CC(NCC(O)CO)NC(=O)C(C)C.
What is the InChIKey of N-[1-(2,3-dihydroxypropylamino)ethyl]-2-methylpropanamide?
The InChIKey is IYWDPMOBOJROOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O3/c1-6(2)9(14)11-7(3)10-4-8(13)5-12/h6-8,10,12-13H,4-5H2,1-3H3,(H,11,14).
What are the key properties of N-[1-(2,3-dihydroxypropylamino)ethyl]-2-methylpropanamide?
N-[1-(2,3-dihydroxypropylamino)ethyl]-2-methylpropanamide has a molecular weight of 204.27 g/mol, XLogP of -0.95, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,3-dihydroxypropylamino)ethyl]-2-methylpropanamide is sourced from PubChem (CID 23046097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).