N,N-bis(2-cyanoethyl)-2-[2-(hydroxymethyl)morpholin-4-yl]acetamide

C13H20N4O3 — CID 79834055

IUPACN,N-bis(2-cyanoethyl)-2-[2-(hydroxymethyl)morpholin-4-yl]acetamide
SMILESN#CCCN(CCC#N)C(=O)CN1CCOC(CO)C1
InChIInChI=1S/C13H20N4O3/c14-3-1-5-17(6-2-4-15)13(19)10-16-7-8-20-12(9-16)11-18/h12,18H,1-2,5-11H2
InChIKeyKDQXVHQGMCCQPB-UHFFFAOYSA-N
MW280.33 g/mol
LogP-0.66
Rot. Bonds7

About N,N-bis(2-cyanoethyl)-2-[2-(hydroxymethyl)morpholin-4-yl]acetamide

N,N-bis(2-cyanoethyl)-2-[2-(hydroxymethyl)morpholin-4-yl]acetamide (PubChem CID 79834055) has the molecular formula C13H20N4O3 and a molecular weight of 280.33 g/mol. Its IUPAC name is N,N-bis(2-cyanoethyl)-2-[2-(hydroxymethyl)morpholin-4-yl]acetamide.

Molecular Properties

Compound NameN,N-bis(2-cyanoethyl)-2-[2-(hydroxymethyl)morpholin-4-yl]acetamide
PubChem CID79834055
Molecular FormulaC13H20N4O3
Molecular Weight280.33 g/mol
Exact Mass280.15
IUPAC NameN,N-bis(2-cyanoethyl)-2-[2-(hydroxymethyl)morpholin-4-yl]acetamide
SMILESN#CCCN(CCC#N)C(=O)CN1CCOC(CO)C1
InChIInChI=1S/C13H20N4O3/c14-3-1-5-17(6-2-4-15)13(19)10-16-7-8-20-12(9-16)11-18/h12,18H,1-2,5-11H2
InChIKeyKDQXVHQGMCCQPB-UHFFFAOYSA-N
XLogP-0.66
TPSA100.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 5-0.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N,N-bis(2-cyanoethyl)-2-[2-(hydroxymethyl)morpholin-4-yl]acetamide?
The IUPAC name of N,N-bis(2-cyanoethyl)-2-[2-(hydroxymethyl)morpholin-4-yl]acetamide (CID 79834055) is N,N-bis(2-cyanoethyl)-2-[2-(hydroxymethyl)morpholin-4-yl]acetamide.
What is the SMILES notation for N,N-bis(2-cyanoethyl)-2-[2-(hydroxymethyl)morpholin-4-yl]acetamide?
The canonical SMILES for N,N-bis(2-cyanoethyl)-2-[2-(hydroxymethyl)morpholin-4-yl]acetamide is N#CCCN(CCC#N)C(=O)CN1CCOC(CO)C1.
What is the InChIKey of N,N-bis(2-cyanoethyl)-2-[2-(hydroxymethyl)morpholin-4-yl]acetamide?
The InChIKey is KDQXVHQGMCCQPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O3/c14-3-1-5-17(6-2-4-15)13(19)10-16-7-8-20-12(9-16)11-18/h12,18H,1-2,5-11H2.
What are the key properties of N,N-bis(2-cyanoethyl)-2-[2-(hydroxymethyl)morpholin-4-yl]acetamide?
N,N-bis(2-cyanoethyl)-2-[2-(hydroxymethyl)morpholin-4-yl]acetamide has a molecular weight of 280.33 g/mol, XLogP of -0.66, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(2-cyanoethyl)-2-[2-(hydroxymethyl)morpholin-4-yl]acetamide is sourced from PubChem (CID 79834055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).