2-cyano-N-[3-[(2-cyanoacetyl)amino]-2-hydroxypropyl]acetamide

C9H12N4O3 — CID 11550341

IUPAC2-cyano-N-[3-[(2-cyanoacetyl)amino]-2-hydroxypropyl]acetamide
SMILESN#CCC(=O)NCC(O)CNC(=O)CC#N
InChIInChI=1S/C9H12N4O3/c10-3-1-8(15)12-5-7(14)6-13-9(16)2-4-11/h7,14H,1-2,5-6H2,(H,12,15)(H,13,16)
InChIKeyVXVPOBMWNMROFX-UHFFFAOYSA-N
MW224.22 g/mol
LogP-1.59
Rot. Bonds6

About 2-cyano-N-[3-[(2-cyanoacetyl)amino]-2-hydroxypropyl]acetamide

2-cyano-N-[3-[(2-cyanoacetyl)amino]-2-hydroxypropyl]acetamide (PubChem CID 11550341) has the molecular formula C9H12N4O3 and a molecular weight of 224.22 g/mol. Its IUPAC name is 2-cyano-N-[3-[(2-cyanoacetyl)amino]-2-hydroxypropyl]acetamide.

Molecular Properties

Compound Name2-cyano-N-[3-[(2-cyanoacetyl)amino]-2-hydroxypropyl]acetamide
PubChem CID11550341
Molecular FormulaC9H12N4O3
Molecular Weight224.22 g/mol
Exact Mass224.09
IUPAC Name2-cyano-N-[3-[(2-cyanoacetyl)amino]-2-hydroxypropyl]acetamide
SMILESN#CCC(=O)NCC(O)CNC(=O)CC#N
InChIInChI=1S/C9H12N4O3/c10-3-1-8(15)12-5-7(14)6-13-9(16)2-4-11/h7,14H,1-2,5-6H2,(H,12,15)(H,13,16)
InChIKeyVXVPOBMWNMROFX-UHFFFAOYSA-N
XLogP-1.59
TPSA126.01 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.22
LogP ≤ 5-1.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-aminopropyl)-2-cyanoacetamide
CID 117126576
2-cyano-N-(2-methyl-3-methylsulfanylpropyl)acetamide
CID 63959776
[4-(cyanomethylamino)-2-hydroxy-4-oxobutyl]carbamic acid
CID 91373270
2-cyano-N-[(3S)-2,2,3,4-tetramethylpentyl]acetamide
CID 118600663
N-[2-[(2-cyanoacetyl)amino]ethyl]-4-oxopentanamide
CID 108537366
2-cyano-N-(3-methylbut-3-enyl)acetamide
CID 131228033
2-cyano-N-icosylacetamide
CID 87316751
2-cyano-N-[(1-methylcyclopropyl)methyl]acetamide
CID 104919970
2-cyano-N-hex-5-ynylacetamide
CID 104920077
2-cyano-N-(2,3-dihydroxypropyl)prop-2-enamide
CID 123823635
20-hydroxy-N-[2-hydroxy-3-(20-hydroxyicosanoylamino)propyl]icosanamide
CID 87382092
(2-cyanoacetyl)oxidanium
CID 168791159

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-[3-[(2-cyanoacetyl)amino]-2-hydroxypropyl]acetamide?
The IUPAC name of 2-cyano-N-[3-[(2-cyanoacetyl)amino]-2-hydroxypropyl]acetamide (CID 11550341) is 2-cyano-N-[3-[(2-cyanoacetyl)amino]-2-hydroxypropyl]acetamide.
What is the SMILES notation for 2-cyano-N-[3-[(2-cyanoacetyl)amino]-2-hydroxypropyl]acetamide?
The canonical SMILES for 2-cyano-N-[3-[(2-cyanoacetyl)amino]-2-hydroxypropyl]acetamide is N#CCC(=O)NCC(O)CNC(=O)CC#N.
What is the InChIKey of 2-cyano-N-[3-[(2-cyanoacetyl)amino]-2-hydroxypropyl]acetamide?
The InChIKey is VXVPOBMWNMROFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4O3/c10-3-1-8(15)12-5-7(14)6-13-9(16)2-4-11/h7,14H,1-2,5-6H2,(H,12,15)(H,13,16).
What are the key properties of 2-cyano-N-[3-[(2-cyanoacetyl)amino]-2-hydroxypropyl]acetamide?
2-cyano-N-[3-[(2-cyanoacetyl)amino]-2-hydroxypropyl]acetamide has a molecular weight of 224.22 g/mol, XLogP of -1.59, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-[3-[(2-cyanoacetyl)amino]-2-hydroxypropyl]acetamide is sourced from PubChem (CID 11550341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).