2-[2-cyanoethyl(2-morpholin-4-ylethyl)amino]-N-(cyclohexylmethyl)acetamide

C18H32N4O2 — CID 78821439

IUPAC2-[2-cyanoethyl(2-morpholin-4-ylethyl)amino]-N-(cyclohexylmethyl)acetamide
SMILESN#CCCN(CCN1CCOCC1)CC(=O)NCC1CCCCC1
InChIInChI=1S/C18H32N4O2/c19-7-4-8-22(10-9-21-11-13-24-14-12-21)16-18(23)20-15-17-5-2-1-3-6-17/h17H,1-6,8-16H2,(H,20,23)
InChIKeyHLMMXLSFCPYQGY-UHFFFAOYSA-N
MW336.48 g/mol
LogP1.23
Rot. Bonds9

About 2-[2-cyanoethyl(2-morpholin-4-ylethyl)amino]-N-(cyclohexylmethyl)acetamide

2-[2-cyanoethyl(2-morpholin-4-ylethyl)amino]-N-(cyclohexylmethyl)acetamide (PubChem CID 78821439) has the molecular formula C18H32N4O2 and a molecular weight of 336.48 g/mol. Its IUPAC name is 2-[2-cyanoethyl(2-morpholin-4-ylethyl)amino]-N-(cyclohexylmethyl)acetamide.

Molecular Properties

Compound Name2-[2-cyanoethyl(2-morpholin-4-ylethyl)amino]-N-(cyclohexylmethyl)acetamide
PubChem CID78821439
Molecular FormulaC18H32N4O2
Molecular Weight336.48 g/mol
Exact Mass336.25
IUPAC Name2-[2-cyanoethyl(2-morpholin-4-ylethyl)amino]-N-(cyclohexylmethyl)acetamide
SMILESN#CCCN(CCN1CCOCC1)CC(=O)NCC1CCCCC1
InChIInChI=1S/C18H32N4O2/c19-7-4-8-22(10-9-21-11-13-24-14-12-21)16-18(23)20-15-17-5-2-1-3-6-17/h17H,1-6,8-16H2,(H,20,23)
InChIKeyHLMMXLSFCPYQGY-UHFFFAOYSA-N
XLogP1.23
TPSA68.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.48
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-cyanoethyl(2-morpholin-4-ylethyl)amino]-N-(2-cyclopentylpyrazol-3-yl)acetamide
CID 78823441
N-(cyclohexylmethyl)-2-(dipropylamino)acetamide
CID 55437784
2-[2-cyanoethyl(2-morpholin-4-ylethyl)amino]-N-(3-methylphenyl)acetamide
CID 78821303
2-[2-cyanoethyl(2-morpholin-4-ylethyl)amino]-N-(2,5-difluorophenyl)acetamide
CID 86911193
2-[2-cyanoethyl(2-morpholin-4-ylethyl)amino]-N-(2-propan-2-ylphenyl)acetamide
CID 78823309
2-[2-cyanoethyl(2-morpholin-4-ylethyl)amino]-N-(2-methoxydibenzofuran-3-yl)acetamide
CID 78823609
N-(cyclohexylmethyl)-2-morpholin-4-ylethanamine
CID 3155090
methyl 2-[ethyl(2-morpholin-4-ylethyl)amino]acetate
CID 55207196
2-cyano-N-[[1-(3-cyclohexylpropanoyl)piperidin-4-yl]methyl]acetamide
CID 108922113
3-[[2-(2,3-dihydro-1,4-benzothiazin-4-yl)-2-oxoethyl]-(2-morpholin-4-ylethyl)amino]propanenitrile
CID 86911559
2-[2-cyanoethyl(2-morpholin-4-ylethyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 60952404
1-bromo-N-(2-cyanoethyl)-N-(2-morpholin-4-ylethyl)methanesulfonamide
CID 83084169

Frequently Asked Questions

What is the IUPAC name of 2-[2-cyanoethyl(2-morpholin-4-ylethyl)amino]-N-(cyclohexylmethyl)acetamide?
The IUPAC name of 2-[2-cyanoethyl(2-morpholin-4-ylethyl)amino]-N-(cyclohexylmethyl)acetamide (CID 78821439) is 2-[2-cyanoethyl(2-morpholin-4-ylethyl)amino]-N-(cyclohexylmethyl)acetamide.
What is the SMILES notation for 2-[2-cyanoethyl(2-morpholin-4-ylethyl)amino]-N-(cyclohexylmethyl)acetamide?
The canonical SMILES for 2-[2-cyanoethyl(2-morpholin-4-ylethyl)amino]-N-(cyclohexylmethyl)acetamide is N#CCCN(CCN1CCOCC1)CC(=O)NCC1CCCCC1.
What is the InChIKey of 2-[2-cyanoethyl(2-morpholin-4-ylethyl)amino]-N-(cyclohexylmethyl)acetamide?
The InChIKey is HLMMXLSFCPYQGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N4O2/c19-7-4-8-22(10-9-21-11-13-24-14-12-21)16-18(23)20-15-17-5-2-1-3-6-17/h17H,1-6,8-16H2,(H,20,23).
What are the key properties of 2-[2-cyanoethyl(2-morpholin-4-ylethyl)amino]-N-(cyclohexylmethyl)acetamide?
2-[2-cyanoethyl(2-morpholin-4-ylethyl)amino]-N-(cyclohexylmethyl)acetamide has a molecular weight of 336.48 g/mol, XLogP of 1.23, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-cyanoethyl(2-morpholin-4-ylethyl)amino]-N-(cyclohexylmethyl)acetamide is sourced from PubChem (CID 78821439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).