N-(1-acetamido-2,3-dihydroxypropyl)acetamide

C7H14N2O4 — CID 174843497

IUPACN-(1-acetamido-2,3-dihydroxypropyl)acetamide
SMILESCC(=O)NC(NC(C)=O)C(O)CO
InChIInChI=1S/C7H14N2O4/c1-4(11)8-7(6(13)3-10)9-5(2)12/h6-7,10,13H,3H2,1-2H3,(H,8,11)(H,9,12)
InChIKeyONKOIMQLPDZHJQ-UHFFFAOYSA-N
MW190.20 g/mol
LogP-2.06
Rot. Bonds4

About N-(1-acetamido-2,3-dihydroxypropyl)acetamide

N-(1-acetamido-2,3-dihydroxypropyl)acetamide (PubChem CID 174843497) has the molecular formula C7H14N2O4 and a molecular weight of 190.20 g/mol. Its IUPAC name is N-(1-acetamido-2,3-dihydroxypropyl)acetamide.

Molecular Properties

Compound NameN-(1-acetamido-2,3-dihydroxypropyl)acetamide
PubChem CID174843497
Molecular FormulaC7H14N2O4
Molecular Weight190.20 g/mol
Exact Mass190.10
IUPAC NameN-(1-acetamido-2,3-dihydroxypropyl)acetamide
SMILESCC(=O)NC(NC(C)=O)C(O)CO
InChIInChI=1S/C7H14N2O4/c1-4(11)8-7(6(13)3-10)9-5(2)12/h6-7,10,13H,3H2,1-2H3,(H,8,11)(H,9,12)
InChIKeyONKOIMQLPDZHJQ-UHFFFAOYSA-N
XLogP-2.06
TPSA98.66 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.20
LogP ≤ 5-2.06
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-acetamido-2,3-dihydroxypropyl)acetamide?
The IUPAC name of N-(1-acetamido-2,3-dihydroxypropyl)acetamide (CID 174843497) is N-(1-acetamido-2,3-dihydroxypropyl)acetamide.
What is the SMILES notation for N-(1-acetamido-2,3-dihydroxypropyl)acetamide?
The canonical SMILES for N-(1-acetamido-2,3-dihydroxypropyl)acetamide is CC(=O)NC(NC(C)=O)C(O)CO.
What is the InChIKey of N-(1-acetamido-2,3-dihydroxypropyl)acetamide?
The InChIKey is ONKOIMQLPDZHJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O4/c1-4(11)8-7(6(13)3-10)9-5(2)12/h6-7,10,13H,3H2,1-2H3,(H,8,11)(H,9,12).
What are the key properties of N-(1-acetamido-2,3-dihydroxypropyl)acetamide?
N-(1-acetamido-2,3-dihydroxypropyl)acetamide has a molecular weight of 190.20 g/mol, XLogP of -2.06, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-acetamido-2,3-dihydroxypropyl)acetamide is sourced from PubChem (CID 174843497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).