N-(cyanomethyl)-2-(2-methoxypropylamino)acetamide

C8H15N3O2 — CID 102698102

IUPACN-(cyanomethyl)-2-(2-methoxypropylamino)acetamide
SMILESCOC(C)CNCC(=O)NCC#N
InChIInChI=1S/C8H15N3O2/c1-7(13-2)5-10-6-8(12)11-4-3-9/h7,10H,4-6H2,1-2H3,(H,11,12)
InChIKeyVOMSEMVGBJKRER-UHFFFAOYSA-N
MW185.23 g/mol
LogP-0.75
Rot. Bonds6

About N-(cyanomethyl)-2-(2-methoxypropylamino)acetamide

N-(cyanomethyl)-2-(2-methoxypropylamino)acetamide (PubChem CID 102698102) has the molecular formula C8H15N3O2 and a molecular weight of 185.23 g/mol. Its IUPAC name is N-(cyanomethyl)-2-(2-methoxypropylamino)acetamide.

Molecular Properties

Compound NameN-(cyanomethyl)-2-(2-methoxypropylamino)acetamide
PubChem CID102698102
Molecular FormulaC8H15N3O2
Molecular Weight185.23 g/mol
Exact Mass185.12
IUPAC NameN-(cyanomethyl)-2-(2-methoxypropylamino)acetamide
SMILESCOC(C)CNCC(=O)NCC#N
InChIInChI=1S/C8H15N3O2/c1-7(13-2)5-10-6-8(12)11-4-3-9/h7,10H,4-6H2,1-2H3,(H,11,12)
InChIKeyVOMSEMVGBJKRER-UHFFFAOYSA-N
XLogP-0.75
TPSA74.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.23
LogP ≤ 5-0.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(2-methoxypropylamino)-N-(2,2,2-trifluoroethyl)acetamide
CID 102698001
2-(2-methoxypropylamino)acetonitrile
CID 102697955
N-(cyanomethyl)-2-(cyclopropylmethylamino)acetamide
CID 28566856
2-(2-methoxypropylamino)-N-pentan-2-ylacetamide
CID 102697868
2-(2-methoxypropylamino)-N-[2-(4-methylphenyl)ethyl]acetamide
CID 67967678
N-(cyanomethyl)-2-(3-methoxypropylamino)acetamide
CID 43153290
N-(cyanomethyl)-2-formamidoacetamide
CID 143975878
2-[[2-(tert-butylamino)-2-oxoethyl]amino]-N-(cyanomethyl)acetamide
CID 115356626
N-(cyanomethyl)-3-methylbutanamide
CID 4630751
N-(cyanomethyl)-2-(4-methylpentan-2-ylamino)acetamide
CID 43372205
2-(2-methoxypropylamino)-N-(oxan-4-yl)acetamide
CID 102697815
N-(cyanomethyl)-2-(2-methylsulfonylethylamino)acetamide
CID 60918929

Frequently Asked Questions

What is the IUPAC name of N-(cyanomethyl)-2-(2-methoxypropylamino)acetamide?
The IUPAC name of N-(cyanomethyl)-2-(2-methoxypropylamino)acetamide (CID 102698102) is N-(cyanomethyl)-2-(2-methoxypropylamino)acetamide.
What is the SMILES notation for N-(cyanomethyl)-2-(2-methoxypropylamino)acetamide?
The canonical SMILES for N-(cyanomethyl)-2-(2-methoxypropylamino)acetamide is COC(C)CNCC(=O)NCC#N.
What is the InChIKey of N-(cyanomethyl)-2-(2-methoxypropylamino)acetamide?
The InChIKey is VOMSEMVGBJKRER-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3O2/c1-7(13-2)5-10-6-8(12)11-4-3-9/h7,10H,4-6H2,1-2H3,(H,11,12).
What are the key properties of N-(cyanomethyl)-2-(2-methoxypropylamino)acetamide?
N-(cyanomethyl)-2-(2-methoxypropylamino)acetamide has a molecular weight of 185.23 g/mol, XLogP of -0.75, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyanomethyl)-2-(2-methoxypropylamino)acetamide is sourced from PubChem (CID 102698102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).