N-(2-cyanoethyl)-2-[cyclobutyl(2-hydroxyethyl)amino]acetamide

C11H19N3O2 — CID 102677016

IUPACN-(2-cyanoethyl)-2-[cyclobutyl(2-hydroxyethyl)amino]acetamide
SMILESN#CCCNC(=O)CN(CCO)C1CCC1
InChIInChI=1S/C11H19N3O2/c12-5-2-6-13-11(16)9-14(7-8-15)10-3-1-4-10/h10,15H,1-4,6-9H2,(H,13,16)
InChIKeyFBVBSNRKWPADFQ-UHFFFAOYSA-N
MW225.29 g/mol
LogP-0.14
Rot. Bonds7

About N-(2-cyanoethyl)-2-[cyclobutyl(2-hydroxyethyl)amino]acetamide

N-(2-cyanoethyl)-2-[cyclobutyl(2-hydroxyethyl)amino]acetamide (PubChem CID 102677016) has the molecular formula C11H19N3O2 and a molecular weight of 225.29 g/mol. Its IUPAC name is N-(2-cyanoethyl)-2-[cyclobutyl(2-hydroxyethyl)amino]acetamide.

Molecular Properties

Compound NameN-(2-cyanoethyl)-2-[cyclobutyl(2-hydroxyethyl)amino]acetamide
PubChem CID102677016
Molecular FormulaC11H19N3O2
Molecular Weight225.29 g/mol
Exact Mass225.15
IUPAC NameN-(2-cyanoethyl)-2-[cyclobutyl(2-hydroxyethyl)amino]acetamide
SMILESN#CCCNC(=O)CN(CCO)C1CCC1
InChIInChI=1S/C11H19N3O2/c12-5-2-6-13-11(16)9-14(7-8-15)10-3-1-4-10/h10,15H,1-4,6-9H2,(H,13,16)
InChIKeyFBVBSNRKWPADFQ-UHFFFAOYSA-N
XLogP-0.14
TPSA76.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 5-0.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(cyanomethyl)-2-[cyclobutyl(3-hydroxypropyl)amino]acetamide
CID 102848492
2-[cyclopentyl(2-hydroxyethyl)amino]-N-(2-methoxyethyl)acetamide
CID 62016627
N-(2-cyanoethyl)-2-[propyl(pyrrolidin-3-yl)amino]acetamide
CID 63301073
2-[cyclobutyl(2-hydroxyethyl)amino]-N-methylacetamide
CID 102676924
2-[8-azabicyclo[3.2.1]octan-3-yl(propyl)amino]-N-(2-cyanoethyl)acetamide
CID 61231372
ethyl 4-[[2-[cyclobutyl(2-hydroxyethyl)amino]acetyl]amino]butanoate
CID 102676800
2-[(4-aminophenyl)methyl-cyclopropylamino]-N-(2-cyanoethyl)acetamide
CID 43460655
2-[cyclohexyl(2-hydroxyethyl)amino]-N-cyclopentylacetamide
CID 60694014
N-[2-(cyclohexen-1-yl)ethyl]-2-[cyclopentyl(2-hydroxyethyl)amino]acetamide
CID 62016038
2-[cyclohexyl(2-hydroxyethyl)amino]-N-[2-(2,6-difluorophenyl)ethyl]acetamide
CID 111114280
2-[cyclobutyl(3-hydroxypropyl)amino]-N-(3-methoxypropyl)acetamide
CID 102848725
methyl 2-[cyclobutyl(2-hydroxyethyl)amino]acetate
CID 102677162

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanoethyl)-2-[cyclobutyl(2-hydroxyethyl)amino]acetamide?
The IUPAC name of N-(2-cyanoethyl)-2-[cyclobutyl(2-hydroxyethyl)amino]acetamide (CID 102677016) is N-(2-cyanoethyl)-2-[cyclobutyl(2-hydroxyethyl)amino]acetamide.
What is the SMILES notation for N-(2-cyanoethyl)-2-[cyclobutyl(2-hydroxyethyl)amino]acetamide?
The canonical SMILES for N-(2-cyanoethyl)-2-[cyclobutyl(2-hydroxyethyl)amino]acetamide is N#CCCNC(=O)CN(CCO)C1CCC1.
What is the InChIKey of N-(2-cyanoethyl)-2-[cyclobutyl(2-hydroxyethyl)amino]acetamide?
The InChIKey is FBVBSNRKWPADFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O2/c12-5-2-6-13-11(16)9-14(7-8-15)10-3-1-4-10/h10,15H,1-4,6-9H2,(H,13,16).
What are the key properties of N-(2-cyanoethyl)-2-[cyclobutyl(2-hydroxyethyl)amino]acetamide?
N-(2-cyanoethyl)-2-[cyclobutyl(2-hydroxyethyl)amino]acetamide has a molecular weight of 225.29 g/mol, XLogP of -0.14, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanoethyl)-2-[cyclobutyl(2-hydroxyethyl)amino]acetamide is sourced from PubChem (CID 102677016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).