2-cyano-N-(2-methoxyethoxy)pentanamide

C9H16N2O3 — CID 107857047

IUPAC2-cyano-N-(2-methoxyethoxy)pentanamide
SMILESCCCC(C#N)C(=O)NOCCOC
InChIInChI=1S/C9H16N2O3/c1-3-4-8(7-10)9(12)11-14-6-5-13-2/h8H,3-6H2,1-2H3,(H,11,12)
InChIKeyUJZDVMIPIDCFPY-UHFFFAOYSA-N
MW200.24 g/mol
LogP0.62
Rot. Bonds7

About 2-cyano-N-(2-methoxyethoxy)pentanamide

2-cyano-N-(2-methoxyethoxy)pentanamide (PubChem CID 107857047) has the molecular formula C9H16N2O3 and a molecular weight of 200.24 g/mol. Its IUPAC name is 2-cyano-N-(2-methoxyethoxy)pentanamide.

Molecular Properties

Compound Name2-cyano-N-(2-methoxyethoxy)pentanamide
PubChem CID107857047
Molecular FormulaC9H16N2O3
Molecular Weight200.24 g/mol
Exact Mass200.12
IUPAC Name2-cyano-N-(2-methoxyethoxy)pentanamide
SMILESCCCC(C#N)C(=O)NOCCOC
InChIInChI=1S/C9H16N2O3/c1-3-4-8(7-10)9(12)11-14-6-5-13-2/h8H,3-6H2,1-2H3,(H,11,12)
InChIKeyUJZDVMIPIDCFPY-UHFFFAOYSA-N
XLogP0.62
TPSA71.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.24
LogP ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-cyano-N-[3-(2-methoxyethylamino)-3-oxopropyl]pentanamide
CID 113410594
methyl 2-cyanopentaneperoxoate
CID 21263469
N-(2-methoxyethoxy)-2-methylpropanamide
CID 58861228
methyl 2-cyano-3-methoxypropanoate
CID 88578090
2-cyano-N-[(2R)-1-hydroxypropan-2-yl]pentanamide
CID 107860521
2-cyano-N-[1-(dimethylamino)propan-2-yl]pentanamide
CID 82938971
2-(carbamoylamino)-N-(2-methoxyethoxy)propanamide
CID 79676152
N-(2-methoxyethoxy)-2-(propylsulfonylamino)propanamide
CID 79675663
2-cyano-N-methyl-N-[2-methyl-3-(methylamino)-3-oxopropyl]pentanamide
CID 106915450
2-(2-methoxyethoxyamino)butanenitrile
CID 82721414
2-cyano-N-(3-hydroxy-2-methylpropyl)pentanamide
CID 65036419
2-cyano-N-(2-methoxycyclopentyl)pentanamide
CID 55210163

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-(2-methoxyethoxy)pentanamide?
The IUPAC name of 2-cyano-N-(2-methoxyethoxy)pentanamide (CID 107857047) is 2-cyano-N-(2-methoxyethoxy)pentanamide.
What is the SMILES notation for 2-cyano-N-(2-methoxyethoxy)pentanamide?
The canonical SMILES for 2-cyano-N-(2-methoxyethoxy)pentanamide is CCCC(C#N)C(=O)NOCCOC.
What is the InChIKey of 2-cyano-N-(2-methoxyethoxy)pentanamide?
The InChIKey is UJZDVMIPIDCFPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O3/c1-3-4-8(7-10)9(12)11-14-6-5-13-2/h8H,3-6H2,1-2H3,(H,11,12).
What are the key properties of 2-cyano-N-(2-methoxyethoxy)pentanamide?
2-cyano-N-(2-methoxyethoxy)pentanamide has a molecular weight of 200.24 g/mol, XLogP of 0.62, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-(2-methoxyethoxy)pentanamide is sourced from PubChem (CID 107857047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).