2-cyano-N,N-bis(2-hydroxypropyl)acetamide

C9H16N2O3 — CID 19350105

IUPAC2-cyano-N,N-bis(2-hydroxypropyl)acetamide
SMILESCC(O)CN(CC(C)O)C(=O)CC#N
InChIInChI=1S/C9H16N2O3/c1-7(12)5-11(6-8(2)13)9(14)3-4-10/h7-8,12-13H,3,5-6H2,1-2H3
InChIKeyKJRXXEAASZWALT-UHFFFAOYSA-N
MW200.24 g/mol
LogP-0.51
Rot. Bonds5

About 2-cyano-N,N-bis(2-hydroxypropyl)acetamide

2-cyano-N,N-bis(2-hydroxypropyl)acetamide (PubChem CID 19350105) has the molecular formula C9H16N2O3 and a molecular weight of 200.24 g/mol. Its IUPAC name is 2-cyano-N,N-bis(2-hydroxypropyl)acetamide.

Molecular Properties

Compound Name2-cyano-N,N-bis(2-hydroxypropyl)acetamide
PubChem CID19350105
Molecular FormulaC9H16N2O3
Molecular Weight200.24 g/mol
Exact Mass200.12
IUPAC Name2-cyano-N,N-bis(2-hydroxypropyl)acetamide
SMILESCC(O)CN(CC(C)O)C(=O)CC#N
InChIInChI=1S/C9H16N2O3/c1-7(12)5-11(6-8(2)13)9(14)3-4-10/h7-8,12-13H,3,5-6H2,1-2H3
InChIKeyKJRXXEAASZWALT-UHFFFAOYSA-N
XLogP-0.51
TPSA84.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.24
LogP ≤ 5-0.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-cyano-N,N-bis(2-hydroxypropyl)acetamide?
The IUPAC name of 2-cyano-N,N-bis(2-hydroxypropyl)acetamide (CID 19350105) is 2-cyano-N,N-bis(2-hydroxypropyl)acetamide.
What is the SMILES notation for 2-cyano-N,N-bis(2-hydroxypropyl)acetamide?
The canonical SMILES for 2-cyano-N,N-bis(2-hydroxypropyl)acetamide is CC(O)CN(CC(C)O)C(=O)CC#N.
What is the InChIKey of 2-cyano-N,N-bis(2-hydroxypropyl)acetamide?
The InChIKey is KJRXXEAASZWALT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O3/c1-7(12)5-11(6-8(2)13)9(14)3-4-10/h7-8,12-13H,3,5-6H2,1-2H3.
What are the key properties of 2-cyano-N,N-bis(2-hydroxypropyl)acetamide?
2-cyano-N,N-bis(2-hydroxypropyl)acetamide has a molecular weight of 200.24 g/mol, XLogP of -0.51, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N,N-bis(2-hydroxypropyl)acetamide is sourced from PubChem (CID 19350105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).