N-(2-cyanoethyl)-2-(4-methoxybutylamino)acetamide

C10H19N3O2 — CID 60975251

IUPACN-(2-cyanoethyl)-2-(4-methoxybutylamino)acetamide
SMILESCOCCCCNCC(=O)NCCC#N
InChIInChI=1S/C10H19N3O2/c1-15-8-3-2-6-12-9-10(14)13-7-4-5-11/h12H,2-4,6-9H2,1H3,(H,13,14)
InChIKeyAKLMHBPCNIRHNL-UHFFFAOYSA-N
MW213.28 g/mol
LogP0.03
Rot. Bonds9

About N-(2-cyanoethyl)-2-(4-methoxybutylamino)acetamide

N-(2-cyanoethyl)-2-(4-methoxybutylamino)acetamide (PubChem CID 60975251) has the molecular formula C10H19N3O2 and a molecular weight of 213.28 g/mol. Its IUPAC name is N-(2-cyanoethyl)-2-(4-methoxybutylamino)acetamide.

Molecular Properties

Compound NameN-(2-cyanoethyl)-2-(4-methoxybutylamino)acetamide
PubChem CID60975251
Molecular FormulaC10H19N3O2
Molecular Weight213.28 g/mol
Exact Mass213.15
IUPAC NameN-(2-cyanoethyl)-2-(4-methoxybutylamino)acetamide
SMILESCOCCCCNCC(=O)NCCC#N
InChIInChI=1S/C10H19N3O2/c1-15-8-3-2-6-12-9-10(14)13-7-4-5-11/h12H,2-4,6-9H2,1H3,(H,13,14)
InChIKeyAKLMHBPCNIRHNL-UHFFFAOYSA-N
XLogP0.03
TPSA74.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 50.03
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

N-(cyanomethyl)-2-(3-methoxypropylamino)acetamide
CID 43153290
N-(2-cyanoethyl)-2-[(2-hydroxy-4-methoxy-2-methylbutyl)amino]acetamide
CID 114164681
N-(2-cyanoethyl)-2-[2-(2-hydroxyethoxy)ethylamino]acetamide
CID 60689523
2-(2-methoxyethylamino)-N-(3-methoxypropyl)acetamide;hydrochloride
CID 119672351
N-(2-cyanoethyl)-2-methoxyacetamide
CID 60668880
2-(6-hydroxyhexylamino)-N-(2-methoxyethyl)acetamide
CID 107703585
2-(hexylamino)-N-(2-methoxyethyl)acetamide
CID 60649576
N-(2-methoxyethyl)-2-(nonylamino)acetamide
CID 115574845
2-(2-hydroxyethylamino)-N-(3-methoxypropyl)acetamide
CID 60647414
2-(butylamino)-N-(2-methoxyethyl)acetamide
CID 54815346
N-(2-cyanoethyl)-2-[2-[methyl(propan-2-yl)amino]ethylamino]acetamide
CID 62640317
2-[3-(2-hydroxyethoxy)propylamino]-N-(3-methoxypropyl)acetamide
CID 106309953

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanoethyl)-2-(4-methoxybutylamino)acetamide?
The IUPAC name of N-(2-cyanoethyl)-2-(4-methoxybutylamino)acetamide (CID 60975251) is N-(2-cyanoethyl)-2-(4-methoxybutylamino)acetamide.
What is the SMILES notation for N-(2-cyanoethyl)-2-(4-methoxybutylamino)acetamide?
The canonical SMILES for N-(2-cyanoethyl)-2-(4-methoxybutylamino)acetamide is COCCCCNCC(=O)NCCC#N.
What is the InChIKey of N-(2-cyanoethyl)-2-(4-methoxybutylamino)acetamide?
The InChIKey is AKLMHBPCNIRHNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O2/c1-15-8-3-2-6-12-9-10(14)13-7-4-5-11/h12H,2-4,6-9H2,1H3,(H,13,14).
What are the key properties of N-(2-cyanoethyl)-2-(4-methoxybutylamino)acetamide?
N-(2-cyanoethyl)-2-(4-methoxybutylamino)acetamide has a molecular weight of 213.28 g/mol, XLogP of 0.03, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanoethyl)-2-(4-methoxybutylamino)acetamide is sourced from PubChem (CID 60975251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).