N-[2-[(2-cyanoacetyl)amino]ethyl]-4-oxopentanamide

C10H15N3O3 — CID 108537366

IUPACN-[2-[(2-cyanoacetyl)amino]ethyl]-4-oxopentanamide
SMILESCC(=O)CCC(=O)NCCNC(=O)CC#N
InChIInChI=1S/C10H15N3O3/c1-8(14)2-3-9(15)12-6-7-13-10(16)4-5-11/h2-4,6-7H2,1H3,(H,12,15)(H,13,16)
InChIKeyMLRYEKOTDDBKJJ-UHFFFAOYSA-N
MW225.25 g/mol
LogP-0.50
Rot. Bonds7

About N-[2-[(2-cyanoacetyl)amino]ethyl]-4-oxopentanamide

N-[2-[(2-cyanoacetyl)amino]ethyl]-4-oxopentanamide (PubChem CID 108537366) has the molecular formula C10H15N3O3 and a molecular weight of 225.25 g/mol. Its IUPAC name is N-[2-[(2-cyanoacetyl)amino]ethyl]-4-oxopentanamide.

Molecular Properties

Compound NameN-[2-[(2-cyanoacetyl)amino]ethyl]-4-oxopentanamide
PubChem CID108537366
Molecular FormulaC10H15N3O3
Molecular Weight225.25 g/mol
Exact Mass225.11
IUPAC NameN-[2-[(2-cyanoacetyl)amino]ethyl]-4-oxopentanamide
SMILESCC(=O)CCC(=O)NCCNC(=O)CC#N
InChIInChI=1S/C10H15N3O3/c1-8(14)2-3-9(15)12-6-7-13-10(16)4-5-11/h2-4,6-7H2,1H3,(H,12,15)(H,13,16)
InChIKeyMLRYEKOTDDBKJJ-UHFFFAOYSA-N
XLogP-0.50
TPSA99.06 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 5-0.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-cyano-N-(3-methylbut-3-enyl)acetamide
CID 131228033
ethane;N-[2-(methylamino)ethyl]-4-oxopentanamide
CID 145117047
2-cyano-N-icosylacetamide
CID 87316751
N-[4-[(2-cyanoacetyl)amino]butyl]-2-methylprop-2-enamide
CID 146301935
N-(4-hydroxybutyl)-4-oxopentanamide
CID 58331315
N-[2-(2-methylpropylamino)ethyl]-4-oxopentanamide
CID 167491425
N-[[3-[(2-cyanoacetyl)amino]phenyl]methyl]-4-oxopentanamide
CID 108924089
2-cyano-N-[2-(3-methylbuta-1,3-dien-2-yloxy)ethyl]acetamide
CID 177134312
4-(cyanomethylamino)-4-oxobutanoic acid
CID 23023570
N-(2-cyanoacetyl)-3-oxobutanamide
CID 12947122
4-oxo-N-prop-2-ynylpentanamide
CID 60646238
potassium;hydride;3-oxobutanenitrile
CID 173335106

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2-cyanoacetyl)amino]ethyl]-4-oxopentanamide?
The IUPAC name of N-[2-[(2-cyanoacetyl)amino]ethyl]-4-oxopentanamide (CID 108537366) is N-[2-[(2-cyanoacetyl)amino]ethyl]-4-oxopentanamide.
What is the SMILES notation for N-[2-[(2-cyanoacetyl)amino]ethyl]-4-oxopentanamide?
The canonical SMILES for N-[2-[(2-cyanoacetyl)amino]ethyl]-4-oxopentanamide is CC(=O)CCC(=O)NCCNC(=O)CC#N.
What is the InChIKey of N-[2-[(2-cyanoacetyl)amino]ethyl]-4-oxopentanamide?
The InChIKey is MLRYEKOTDDBKJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O3/c1-8(14)2-3-9(15)12-6-7-13-10(16)4-5-11/h2-4,6-7H2,1H3,(H,12,15)(H,13,16).
What are the key properties of N-[2-[(2-cyanoacetyl)amino]ethyl]-4-oxopentanamide?
N-[2-[(2-cyanoacetyl)amino]ethyl]-4-oxopentanamide has a molecular weight of 225.25 g/mol, XLogP of -0.50, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2-cyanoacetyl)amino]ethyl]-4-oxopentanamide is sourced from PubChem (CID 108537366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).