N-(2-cyanoethyl)-2-[2-cyanoethyl(2-methoxyethyl)amino]acetamide

C11H18N4O2 — CID 63286365

IUPACN-(2-cyanoethyl)-2-[2-cyanoethyl(2-methoxyethyl)amino]acetamide
SMILESCOCCN(CCC#N)CC(=O)NCCC#N
InChIInChI=1S/C11H18N4O2/c1-17-9-8-15(7-3-5-13)10-11(16)14-6-2-4-12/h2-3,6-10H2,1H3,(H,14,16)
InChIKeySDTLAABNMKMODL-UHFFFAOYSA-N
MW238.29 g/mol
LogP-0.12
Rot. Bonds9

About N-(2-cyanoethyl)-2-[2-cyanoethyl(2-methoxyethyl)amino]acetamide

N-(2-cyanoethyl)-2-[2-cyanoethyl(2-methoxyethyl)amino]acetamide (PubChem CID 63286365) has the molecular formula C11H18N4O2 and a molecular weight of 238.29 g/mol. Its IUPAC name is N-(2-cyanoethyl)-2-[2-cyanoethyl(2-methoxyethyl)amino]acetamide.

Molecular Properties

Compound NameN-(2-cyanoethyl)-2-[2-cyanoethyl(2-methoxyethyl)amino]acetamide
PubChem CID63286365
Molecular FormulaC11H18N4O2
Molecular Weight238.29 g/mol
Exact Mass238.14
IUPAC NameN-(2-cyanoethyl)-2-[2-cyanoethyl(2-methoxyethyl)amino]acetamide
SMILESCOCCN(CCC#N)CC(=O)NCCC#N
InChIInChI=1S/C11H18N4O2/c1-17-9-8-15(7-3-5-13)10-11(16)14-6-2-4-12/h2-3,6-10H2,1H3,(H,14,16)
InChIKeySDTLAABNMKMODL-UHFFFAOYSA-N
XLogP-0.12
TPSA89.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 5-0.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[2-cyanoethyl(2-methoxyethyl)amino]-N-prop-2-ynylacetamide
CID 63286666
2-[2-cyanoethyl(2-methoxyethyl)amino]acetamide
CID 55137484
2-[bis(2-methoxyethyl)amino]-N-(2-cyanoethyl)-N-methylacetamide
CID 60672925
propan-2-yl 2-[2-cyanoethyl(2-methoxyethyl)amino]acetate
CID 63285599
3-[2-methoxyethyl(2-methylprop-2-enyl)amino]propanenitrile
CID 63286745
N-(2-cyanoethyl)-2-methoxyacetamide
CID 60668880
methyl 4-[2-cyanoethyl(2-methoxyethyl)amino]butanoate
CID 63285080
2-[[2-[bis(2-cyanoethyl)amino]-2-oxoethyl]-methylamino]-N-(3-methoxypropyl)acetamide
CID 55445473
3-[ethyl(2-methoxyethyl)amino]propanenitrile
CID 61448271
3-[2,3-dichloroprop-2-enyl(2-methoxyethyl)amino]propanenitrile
CID 79167562
2-[bis(2-methoxyethyl)amino]-N-(2,2,2-trifluoroethyl)acetamide
CID 78807325
N-(2-cyanoethyl)-2-(4-methoxybutylamino)acetamide
CID 60975251

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanoethyl)-2-[2-cyanoethyl(2-methoxyethyl)amino]acetamide?
The IUPAC name of N-(2-cyanoethyl)-2-[2-cyanoethyl(2-methoxyethyl)amino]acetamide (CID 63286365) is N-(2-cyanoethyl)-2-[2-cyanoethyl(2-methoxyethyl)amino]acetamide.
What is the SMILES notation for N-(2-cyanoethyl)-2-[2-cyanoethyl(2-methoxyethyl)amino]acetamide?
The canonical SMILES for N-(2-cyanoethyl)-2-[2-cyanoethyl(2-methoxyethyl)amino]acetamide is COCCN(CCC#N)CC(=O)NCCC#N.
What is the InChIKey of N-(2-cyanoethyl)-2-[2-cyanoethyl(2-methoxyethyl)amino]acetamide?
The InChIKey is SDTLAABNMKMODL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O2/c1-17-9-8-15(7-3-5-13)10-11(16)14-6-2-4-12/h2-3,6-10H2,1H3,(H,14,16).
What are the key properties of N-(2-cyanoethyl)-2-[2-cyanoethyl(2-methoxyethyl)amino]acetamide?
N-(2-cyanoethyl)-2-[2-cyanoethyl(2-methoxyethyl)amino]acetamide has a molecular weight of 238.29 g/mol, XLogP of -0.12, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanoethyl)-2-[2-cyanoethyl(2-methoxyethyl)amino]acetamide is sourced from PubChem (CID 63286365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).