N-benzyl-N-(cyanomethyl)-2-morpholin-2-ylacetamide

C15H19N3O2 — CID 66429565

IUPACN-benzyl-N-(cyanomethyl)-2-morpholin-2-ylacetamide
SMILESN#CCN(Cc1ccccc1)C(=O)CC1CNCCO1
InChIInChI=1S/C15H19N3O2/c16-6-8-18(12-13-4-2-1-3-5-13)15(19)10-14-11-17-7-9-20-14/h1-5,14,17H,7-12H2
InChIKeySQRNECYNEJBIEF-UHFFFAOYSA-N
MW273.34 g/mol
LogP0.92
Rot. Bonds5

About N-benzyl-N-(cyanomethyl)-2-morpholin-2-ylacetamide

N-benzyl-N-(cyanomethyl)-2-morpholin-2-ylacetamide (PubChem CID 66429565) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is N-benzyl-N-(cyanomethyl)-2-morpholin-2-ylacetamide.

Molecular Properties

Compound NameN-benzyl-N-(cyanomethyl)-2-morpholin-2-ylacetamide
PubChem CID66429565
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC NameN-benzyl-N-(cyanomethyl)-2-morpholin-2-ylacetamide
SMILESN#CCN(Cc1ccccc1)C(=O)CC1CNCCO1
InChIInChI=1S/C15H19N3O2/c16-6-8-18(12-13-4-2-1-3-5-13)15(19)10-14-11-17-7-9-20-14/h1-5,14,17H,7-12H2
InChIKeySQRNECYNEJBIEF-UHFFFAOYSA-N
XLogP0.92
TPSA65.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N,N-bis(cyanomethyl)-2-morpholin-2-ylacetamide
CID 66433370
N-benzyl-2-morpholin-2-yl-N-propylacetamide
CID 66433391
N-benzyl-N-(cyanomethyl)pyrrolidine-3-carboxamide
CID 63005731
N-benzyl-N-(cyanomethyl)-2-piperidin-4-ylsulfanylacetamide
CID 114627134
N-methyl-2-morpholin-2-yl-N-[(4-phenoxyphenyl)methyl]acetamide
CID 70776717
2-morpholin-2-yl-N-(3-phenylprop-2-ynyl)-N-propylacetamide;hydrochloride
CID 154890561
N-[(3-hydroxyphenyl)methyl]-N-methyl-2-morpholin-2-ylacetamide
CID 66427007
benzyl 2-morpholin-2-ylacetate
CID 66434624
N-ethyl-2-morpholin-2-yl-N-(thiophen-2-ylmethyl)acetamide
CID 66427854
N,N-diethyl-2-morpholin-2-ylacetamide
CID 66435692
N-methyl-N-[(2-methylphenyl)methyl]-2-morpholin-2-ylacetamide
CID 66433193
N-[[4-(dimethylamino)phenyl]methyl]-N-methyl-2-morpholin-2-ylacetamide
CID 66428059

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-(cyanomethyl)-2-morpholin-2-ylacetamide?
The IUPAC name of N-benzyl-N-(cyanomethyl)-2-morpholin-2-ylacetamide (CID 66429565) is N-benzyl-N-(cyanomethyl)-2-morpholin-2-ylacetamide.
What is the SMILES notation for N-benzyl-N-(cyanomethyl)-2-morpholin-2-ylacetamide?
The canonical SMILES for N-benzyl-N-(cyanomethyl)-2-morpholin-2-ylacetamide is N#CCN(Cc1ccccc1)C(=O)CC1CNCCO1.
What is the InChIKey of N-benzyl-N-(cyanomethyl)-2-morpholin-2-ylacetamide?
The InChIKey is SQRNECYNEJBIEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2/c16-6-8-18(12-13-4-2-1-3-5-13)15(19)10-14-11-17-7-9-20-14/h1-5,14,17H,7-12H2.
What are the key properties of N-benzyl-N-(cyanomethyl)-2-morpholin-2-ylacetamide?
N-benzyl-N-(cyanomethyl)-2-morpholin-2-ylacetamide has a molecular weight of 273.34 g/mol, XLogP of 0.92, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-(cyanomethyl)-2-morpholin-2-ylacetamide is sourced from PubChem (CID 66429565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).