2-cyano-N-(2-hydroxypropyl)-N-methylpropanamide

C8H14N2O2 — CID 62335459

IUPAC2-cyano-N-(2-hydroxypropyl)-N-methylpropanamide
SMILESCC(O)CN(C)C(=O)C(C)C#N
InChIInChI=1S/C8H14N2O2/c1-6(4-9)8(12)10(3)5-7(2)11/h6-7,11H,5H2,1-3H3
InChIKeyUAHWKLCJHIVZTJ-UHFFFAOYSA-N
MW170.21 g/mol
LogP-0.01
Rot. Bonds3

About 2-cyano-N-(2-hydroxypropyl)-N-methylpropanamide

2-cyano-N-(2-hydroxypropyl)-N-methylpropanamide (PubChem CID 62335459) has the molecular formula C8H14N2O2 and a molecular weight of 170.21 g/mol. Its IUPAC name is 2-cyano-N-(2-hydroxypropyl)-N-methylpropanamide.

Molecular Properties

Compound Name2-cyano-N-(2-hydroxypropyl)-N-methylpropanamide
PubChem CID62335459
Molecular FormulaC8H14N2O2
Molecular Weight170.21 g/mol
Exact Mass170.11
IUPAC Name2-cyano-N-(2-hydroxypropyl)-N-methylpropanamide
SMILESCC(O)CN(C)C(=O)C(C)C#N
InChIInChI=1S/C8H14N2O2/c1-6(4-9)8(12)10(3)5-7(2)11/h6-7,11H,5H2,1-3H3
InChIKeyUAHWKLCJHIVZTJ-UHFFFAOYSA-N
XLogP-0.01
TPSA64.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.21
LogP ≤ 5-0.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyano-N-(2-cyanopropanoyl)-N-methylpropanamide
CID 12707168
1-(2-hydroxypropyl)-1,3,3-trimethylurea
CID 79153852
1-(2-cyanopropyl)-1,3,3-trimethylurea
CID 78969861
N-(2-cyanopropyl)-N,3-dimethyl-2-sulfanylbutanamide
CID 107026270
2-cyano-N-(2-hydroxypropyl)-N,2-dimethylbutanamide
CID 114291419
N-(2-cyanopropyl)-4-hydroxy-N-methylpentanamide
CID 79204539
N-(2-hydroxypropyl)-N-methylpropanamide
CID 18720717
2-acetamido-N-(2-hydroxypropyl)-N,3-dimethylbutanamide
CID 62334399
2-amino-N-(2-cyanopropyl)-N-methylpentanamide
CID 60963784
N-(2-hydroxypropyl)-N,3,3-trimethylbutanamide
CID 62335118
(2R)-2-amino-N-(2-hydroxypropyl)-N-methyl-4-methylsulfanylbutanamide
CID 104908350
2-cyano-N-[1-(diethylamino)-1-oxopropan-2-yl]propanamide
CID 112696041

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-(2-hydroxypropyl)-N-methylpropanamide?
The IUPAC name of 2-cyano-N-(2-hydroxypropyl)-N-methylpropanamide (CID 62335459) is 2-cyano-N-(2-hydroxypropyl)-N-methylpropanamide.
What is the SMILES notation for 2-cyano-N-(2-hydroxypropyl)-N-methylpropanamide?
The canonical SMILES for 2-cyano-N-(2-hydroxypropyl)-N-methylpropanamide is CC(O)CN(C)C(=O)C(C)C#N.
What is the InChIKey of 2-cyano-N-(2-hydroxypropyl)-N-methylpropanamide?
The InChIKey is UAHWKLCJHIVZTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O2/c1-6(4-9)8(12)10(3)5-7(2)11/h6-7,11H,5H2,1-3H3.
What are the key properties of 2-cyano-N-(2-hydroxypropyl)-N-methylpropanamide?
2-cyano-N-(2-hydroxypropyl)-N-methylpropanamide has a molecular weight of 170.21 g/mol, XLogP of -0.01, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-(2-hydroxypropyl)-N-methylpropanamide is sourced from PubChem (CID 62335459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).