N-(1-cyanopropan-2-yl)-2-hydroxy-N,2-dimethylpropanamide

C9H16N2O2 — CID 103429996

IUPACN-(1-cyanopropan-2-yl)-2-hydroxy-N,2-dimethylpropanamide
SMILESCC(CC#N)N(C)C(=O)C(C)(C)O
InChIInChI=1S/C9H16N2O2/c1-7(5-6-10)11(4)8(12)9(2,3)13/h7,13H,5H2,1-4H3
InChIKeyIFHZZEQMTHJMAG-UHFFFAOYSA-N
MW184.24 g/mol
LogP0.52
Rot. Bonds3

About N-(1-cyanopropan-2-yl)-2-hydroxy-N,2-dimethylpropanamide

N-(1-cyanopropan-2-yl)-2-hydroxy-N,2-dimethylpropanamide (PubChem CID 103429996) has the molecular formula C9H16N2O2 and a molecular weight of 184.24 g/mol. Its IUPAC name is N-(1-cyanopropan-2-yl)-2-hydroxy-N,2-dimethylpropanamide.

Molecular Properties

Compound NameN-(1-cyanopropan-2-yl)-2-hydroxy-N,2-dimethylpropanamide
PubChem CID103429996
Molecular FormulaC9H16N2O2
Molecular Weight184.24 g/mol
Exact Mass184.12
IUPAC NameN-(1-cyanopropan-2-yl)-2-hydroxy-N,2-dimethylpropanamide
SMILESCC(CC#N)N(C)C(=O)C(C)(C)O
InChIInChI=1S/C9H16N2O2/c1-7(5-6-10)11(4)8(12)9(2,3)13/h7,13H,5H2,1-4H3
InChIKeyIFHZZEQMTHJMAG-UHFFFAOYSA-N
XLogP0.52
TPSA64.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.24
LogP ≤ 50.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-[(2S)-1-cyanopropan-2-yl]-N-methylcarbamate
CID 52908331
2-chloro-N-(1-cyanopropan-2-yl)-N-methylpropanamide
CID 63224261
N-(1-cyanopropan-2-yl)-3-methoxy-N,3-dimethylbutanamide
CID 103020178
N-(1-cyanopropan-2-yl)-N,3,5,5-tetramethylhexanamide
CID 63224542
2-hydroxy-N-(1-hydroxyethyl)-N,2-dimethylpropanamide
CID 163668609
2-[[1-cyanopropan-2-yl(methyl)carbamoyl]amino]-3,3-dimethylbutanoic acid
CID 63228224
2-bromo-N-(1-cyanopropan-2-yl)-N-methylbutanamide
CID 63224173
4-[[1-cyanopropan-2-yl(methyl)carbamoyl]amino]-2,2-dimethyl-4-oxobutanoic acid
CID 65301403
4-[1-cyanopropan-2-yl(methyl)amino]-2,2-diethyl-4-oxobutanoic acid
CID 63223026
1-(1-cyanopropan-2-yl)-1-methyl-3-propylurea
CID 63224450
N-(1-cyanopropan-2-yl)-N-methyl-2-methylsulfonylacetamide
CID 63297028
4-chloro-N-(1-cyanopropan-2-yl)-N-methylbutanamide
CID 63308494

Frequently Asked Questions

What is the IUPAC name of N-(1-cyanopropan-2-yl)-2-hydroxy-N,2-dimethylpropanamide?
The IUPAC name of N-(1-cyanopropan-2-yl)-2-hydroxy-N,2-dimethylpropanamide (CID 103429996) is N-(1-cyanopropan-2-yl)-2-hydroxy-N,2-dimethylpropanamide.
What is the SMILES notation for N-(1-cyanopropan-2-yl)-2-hydroxy-N,2-dimethylpropanamide?
The canonical SMILES for N-(1-cyanopropan-2-yl)-2-hydroxy-N,2-dimethylpropanamide is CC(CC#N)N(C)C(=O)C(C)(C)O.
What is the InChIKey of N-(1-cyanopropan-2-yl)-2-hydroxy-N,2-dimethylpropanamide?
The InChIKey is IFHZZEQMTHJMAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O2/c1-7(5-6-10)11(4)8(12)9(2,3)13/h7,13H,5H2,1-4H3.
What are the key properties of N-(1-cyanopropan-2-yl)-2-hydroxy-N,2-dimethylpropanamide?
N-(1-cyanopropan-2-yl)-2-hydroxy-N,2-dimethylpropanamide has a molecular weight of 184.24 g/mol, XLogP of 0.52, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyanopropan-2-yl)-2-hydroxy-N,2-dimethylpropanamide is sourced from PubChem (CID 103429996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).