N,N-bis(cyanomethyl)-2-morpholin-2-ylacetamide

C10H14N4O2 — CID 66433370

IUPACN,N-bis(cyanomethyl)-2-morpholin-2-ylacetamide
SMILESN#CCN(CC#N)C(=O)CC1CNCCO1
InChIInChI=1S/C10H14N4O2/c11-1-4-14(5-2-12)10(15)7-9-8-13-3-6-16-9/h9,13H,3-8H2
InChIKeyHICGOCQQMBPGTG-UHFFFAOYSA-N
MW222.25 g/mol
LogP-0.76
Rot. Bonds4

About N,N-bis(cyanomethyl)-2-morpholin-2-ylacetamide

N,N-bis(cyanomethyl)-2-morpholin-2-ylacetamide (PubChem CID 66433370) has the molecular formula C10H14N4O2 and a molecular weight of 222.25 g/mol. Its IUPAC name is N,N-bis(cyanomethyl)-2-morpholin-2-ylacetamide.

Molecular Properties

Compound NameN,N-bis(cyanomethyl)-2-morpholin-2-ylacetamide
PubChem CID66433370
Molecular FormulaC10H14N4O2
Molecular Weight222.25 g/mol
Exact Mass222.11
IUPAC NameN,N-bis(cyanomethyl)-2-morpholin-2-ylacetamide
SMILESN#CCN(CC#N)C(=O)CC1CNCCO1
InChIInChI=1S/C10H14N4O2/c11-1-4-14(5-2-12)10(15)7-9-8-13-3-6-16-9/h9,13H,3-8H2
InChIKeyHICGOCQQMBPGTG-UHFFFAOYSA-N
XLogP-0.76
TPSA89.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.25
LogP ≤ 5-0.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-benzyl-N-(cyanomethyl)-2-morpholin-2-ylacetamide
CID 66429565
N,N-diethyl-2-morpholin-2-ylacetamide
CID 66435692
N-(2-cyanoethyl)-N-cyclopropyl-2-morpholin-2-ylacetamide
CID 66428503
N,N-bis(cyanomethyl)-2-piperidin-3-ylacetamide
CID 62675226
N-methyl-2-morpholin-2-yl-N-propan-2-ylacetamide
CID 66434341
N-(cyclopropylmethyl)-N-ethyl-2-morpholin-2-ylacetamide;hydrochloride
CID 119784637
methyl 2-[(2-morpholin-2-ylacetyl)-propylamino]acetate
CID 66429555
N-(cyclohexylmethyl)-N-methyl-2-morpholin-2-ylacetamide;hydrochloride
CID 119704440
N-[(1-hydroxycyclopentyl)methyl]-N-methyl-2-morpholin-2-ylacetamide
CID 114948986
N-butyl-N-methyl-2-morpholin-2-ylacetamide
CID 66433567
N-cyclopentyl-N-methyl-2-morpholin-2-ylacetamide;hydrochloride
CID 119696960
1-morpholin-2-ylbutan-2-one
CID 116586154

Frequently Asked Questions

What is the IUPAC name of N,N-bis(cyanomethyl)-2-morpholin-2-ylacetamide?
The IUPAC name of N,N-bis(cyanomethyl)-2-morpholin-2-ylacetamide (CID 66433370) is N,N-bis(cyanomethyl)-2-morpholin-2-ylacetamide.
What is the SMILES notation for N,N-bis(cyanomethyl)-2-morpholin-2-ylacetamide?
The canonical SMILES for N,N-bis(cyanomethyl)-2-morpholin-2-ylacetamide is N#CCN(CC#N)C(=O)CC1CNCCO1.
What is the InChIKey of N,N-bis(cyanomethyl)-2-morpholin-2-ylacetamide?
The InChIKey is HICGOCQQMBPGTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O2/c11-1-4-14(5-2-12)10(15)7-9-8-13-3-6-16-9/h9,13H,3-8H2.
What are the key properties of N,N-bis(cyanomethyl)-2-morpholin-2-ylacetamide?
N,N-bis(cyanomethyl)-2-morpholin-2-ylacetamide has a molecular weight of 222.25 g/mol, XLogP of -0.76, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(cyanomethyl)-2-morpholin-2-ylacetamide is sourced from PubChem (CID 66433370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).