2-cyano-N-[1-(diethylamino)-1-oxopropan-2-yl]propanamide

C11H19N3O2 — CID 112696041

IUPAC2-cyano-N-[1-(diethylamino)-1-oxopropan-2-yl]propanamide
SMILESCCN(CC)C(=O)C(C)NC(=O)C(C)C#N
InChIInChI=1S/C11H19N3O2/c1-5-14(6-2)11(16)9(4)13-10(15)8(3)7-12/h8-9H,5-6H2,1-4H3,(H,13,15)
InChIKeyNRHOGCSEDQSSKZ-UHFFFAOYSA-N
MW225.29 g/mol
LogP0.52
Rot. Bonds5

About 2-cyano-N-[1-(diethylamino)-1-oxopropan-2-yl]propanamide

2-cyano-N-[1-(diethylamino)-1-oxopropan-2-yl]propanamide (PubChem CID 112696041) has the molecular formula C11H19N3O2 and a molecular weight of 225.29 g/mol. Its IUPAC name is 2-cyano-N-[1-(diethylamino)-1-oxopropan-2-yl]propanamide.

Molecular Properties

Compound Name2-cyano-N-[1-(diethylamino)-1-oxopropan-2-yl]propanamide
PubChem CID112696041
Molecular FormulaC11H19N3O2
Molecular Weight225.29 g/mol
Exact Mass225.15
IUPAC Name2-cyano-N-[1-(diethylamino)-1-oxopropan-2-yl]propanamide
SMILESCCN(CC)C(=O)C(C)NC(=O)C(C)C#N
InChIInChI=1S/C11H19N3O2/c1-5-14(6-2)11(16)9(4)13-10(15)8(3)7-12/h8-9H,5-6H2,1-4H3,(H,13,15)
InChIKeyNRHOGCSEDQSSKZ-UHFFFAOYSA-N
XLogP0.52
TPSA73.20 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 50.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 314340
N-(Carbamoylmethyl)-2-acetamido-3-methylbutanamide
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L-alanyl-L-valinamide
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(2S)-2-amino-3-methyl-N-[(2S)-3-methyl-1-(methylamino)-1-oxobutan-2-yl]butanamide
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2-amino-N-(2-methylpropyl)propanamide
CID 13750005
(2S)-2-amino-N-[(2S)-1-[[(2S)-1-(methylamino)-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]propanamide
CID 14259918
N,N'-1,2-propanediylbis(2-methylpropanamide)
CID 2931018
N1-Isobutyl-L-alaninamide
CID 13750006
US8722896, N-[(2S)-2-Aminopropanoyl]-(2R)-valylamide
CID 58080472
(2s)-1-{[(2s)-1-Amino-3-Methyl-1-Oxobutan-2-Yl]amino}-1-Oxopropan-2-Aminium
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CID 7019944

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-[1-(diethylamino)-1-oxopropan-2-yl]propanamide?
The IUPAC name of 2-cyano-N-[1-(diethylamino)-1-oxopropan-2-yl]propanamide (CID 112696041) is 2-cyano-N-[1-(diethylamino)-1-oxopropan-2-yl]propanamide.
What is the SMILES notation for 2-cyano-N-[1-(diethylamino)-1-oxopropan-2-yl]propanamide?
The canonical SMILES for 2-cyano-N-[1-(diethylamino)-1-oxopropan-2-yl]propanamide is CCN(CC)C(=O)C(C)NC(=O)C(C)C#N.
What is the InChIKey of 2-cyano-N-[1-(diethylamino)-1-oxopropan-2-yl]propanamide?
The InChIKey is NRHOGCSEDQSSKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O2/c1-5-14(6-2)11(16)9(4)13-10(15)8(3)7-12/h8-9H,5-6H2,1-4H3,(H,13,15).
What are the key properties of 2-cyano-N-[1-(diethylamino)-1-oxopropan-2-yl]propanamide?
2-cyano-N-[1-(diethylamino)-1-oxopropan-2-yl]propanamide has a molecular weight of 225.29 g/mol, XLogP of 0.52, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-[1-(diethylamino)-1-oxopropan-2-yl]propanamide is sourced from PubChem (CID 112696041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).