N-(3-cyanopropyl)-2-ethoxyacetamide

C8H14N2O2 — CID 62668485

IUPACN-(3-cyanopropyl)-2-ethoxyacetamide
SMILESCCOCC(=O)NCCCC#N
InChIInChI=1S/C8H14N2O2/c1-2-12-7-8(11)10-6-4-3-5-9/h2-4,6-7H2,1H3,(H,10,11)
InChIKeyFKOCGKDVWKDXJV-UHFFFAOYSA-N
MW170.21 g/mol
LogP0.44
Rot. Bonds6

About N-(3-cyanopropyl)-2-ethoxyacetamide

N-(3-cyanopropyl)-2-ethoxyacetamide (PubChem CID 62668485) has the molecular formula C8H14N2O2 and a molecular weight of 170.21 g/mol. Its IUPAC name is N-(3-cyanopropyl)-2-ethoxyacetamide.

Molecular Properties

Compound NameN-(3-cyanopropyl)-2-ethoxyacetamide
PubChem CID62668485
Molecular FormulaC8H14N2O2
Molecular Weight170.21 g/mol
Exact Mass170.11
IUPAC NameN-(3-cyanopropyl)-2-ethoxyacetamide
SMILESCCOCC(=O)NCCCC#N
InChIInChI=1S/C8H14N2O2/c1-2-12-7-8(11)10-6-4-3-5-9/h2-4,6-7H2,1H3,(H,10,11)
InChIKeyFKOCGKDVWKDXJV-UHFFFAOYSA-N
XLogP0.44
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.21
LogP ≤ 50.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-ethoxy-N-(3-hydroxypropyl)acetamide
CID 43419254
2-ethoxy-N-(5-methylhexyl)acetamide
CID 21019006
N-(4-aminopentyl)-2-ethoxyacetamide
CID 106122279
2-ethoxy-N-(3-propan-2-yloxypropyl)acetamide
CID 60638133
2-ethoxy-N-(6-iodohexyl)acetamide
CID 107848061
2-amino-N-(3-cyanopropyl)acetamide
CID 62666255
2-ethoxy-N-(3-formamidopropyl)acetamide
CID 155439472
6-[(2-ethoxyacetyl)amino]hexanoic acid
CID 28777004
2-ethoxy-N-[8-(propan-2-ylamino)octyl]acetamide;molecular hydrogen
CID 162749920
2-ethoxy-N-[2-[2-[2-[2-[(2-ethoxyacetyl)amino]ethoxy]ethoxy]ethoxy]ethyl]acetamide
CID 142043664
N-(2-cyanoethyl)-2-methoxyacetamide
CID 60668880
ethane;2-ethoxy-N-[2-[2-[2-[2-[(2-ethoxyacetyl)amino]ethoxy]ethoxy]ethoxy]ethyl]acetamide
CID 142043663

Frequently Asked Questions

What is the IUPAC name of N-(3-cyanopropyl)-2-ethoxyacetamide?
The IUPAC name of N-(3-cyanopropyl)-2-ethoxyacetamide (CID 62668485) is N-(3-cyanopropyl)-2-ethoxyacetamide.
What is the SMILES notation for N-(3-cyanopropyl)-2-ethoxyacetamide?
The canonical SMILES for N-(3-cyanopropyl)-2-ethoxyacetamide is CCOCC(=O)NCCCC#N.
What is the InChIKey of N-(3-cyanopropyl)-2-ethoxyacetamide?
The InChIKey is FKOCGKDVWKDXJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O2/c1-2-12-7-8(11)10-6-4-3-5-9/h2-4,6-7H2,1H3,(H,10,11).
What are the key properties of N-(3-cyanopropyl)-2-ethoxyacetamide?
N-(3-cyanopropyl)-2-ethoxyacetamide has a molecular weight of 170.21 g/mol, XLogP of 0.44, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyanopropyl)-2-ethoxyacetamide is sourced from PubChem (CID 62668485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).