N,N-bis(2-cyanoethyl)-2-[ethyl-(2-hydroxy-2-methylpropyl)amino]acetamide

C14H24N4O2 — CID 78962384

IUPACN,N-bis(2-cyanoethyl)-2-[ethyl-(2-hydroxy-2-methylpropyl)amino]acetamide
SMILESCCN(CC(=O)N(CCC#N)CCC#N)CC(C)(C)O
InChIInChI=1S/C14H24N4O2/c1-4-17(12-14(2,3)20)11-13(19)18(9-5-7-15)10-6-8-16/h20H,4-6,9-12H2,1-3H3
InChIKeyLIKONGDXVQLCOE-UHFFFAOYSA-N
MW280.37 g/mol
LogP0.74
Rot. Bonds9

About N,N-bis(2-cyanoethyl)-2-[ethyl-(2-hydroxy-2-methylpropyl)amino]acetamide

N,N-bis(2-cyanoethyl)-2-[ethyl-(2-hydroxy-2-methylpropyl)amino]acetamide (PubChem CID 78962384) has the molecular formula C14H24N4O2 and a molecular weight of 280.37 g/mol. Its IUPAC name is N,N-bis(2-cyanoethyl)-2-[ethyl-(2-hydroxy-2-methylpropyl)amino]acetamide.

Molecular Properties

Compound NameN,N-bis(2-cyanoethyl)-2-[ethyl-(2-hydroxy-2-methylpropyl)amino]acetamide
PubChem CID78962384
Molecular FormulaC14H24N4O2
Molecular Weight280.37 g/mol
Exact Mass280.19
IUPAC NameN,N-bis(2-cyanoethyl)-2-[ethyl-(2-hydroxy-2-methylpropyl)amino]acetamide
SMILESCCN(CC(=O)N(CCC#N)CCC#N)CC(C)(C)O
InChIInChI=1S/C14H24N4O2/c1-4-17(12-14(2,3)20)11-13(19)18(9-5-7-15)10-6-8-16/h20H,4-6,9-12H2,1-3H3
InChIKeyLIKONGDXVQLCOE-UHFFFAOYSA-N
XLogP0.74
TPSA91.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N,N-bis(2-cyanoethyl)-2-(dipropylamino)acetamide
CID 21354456
2-[(3-amino-2,2-dimethylpropyl)-ethylamino]-N-(2-cyanoethyl)-N-methylacetamide
CID 79661823
2-cyano-N-ethyl-N-(2-hydroxy-2-methylpropyl)acetamide
CID 79377312
N,N,N',N'-tetrakis(2-cyanoethyl)butanediamide
CID 15084880
2-[[2-[2-cyanoethyl(methyl)amino]-2-oxoethyl]-ethylamino]acetic acid
CID 61012153
2-cyanoethyl(ethyl)carbamic acid
CID 18786016
2-[ethyl-(2-hydroxy-2-methylpropyl)amino]-N-methylacetamide
CID 79390515
ethyl 2-[[2-[bis(2-cyanoethyl)amino]-2-oxoethyl]-methylamino]acetate
CID 62011813
ethyl 2-[2-cyanoethyl(2,2-dimethylpropyl)amino]acetate
CID 56806573
2-[[2-[bis(2-cyanoethyl)amino]-2-oxoethyl]-methylamino]-N-methylacetamide
CID 78826448
N,N-bis(2-cyanoethyl)dodecanamide
CID 3396127
N-(2-cyanoethyl)-2-[2-cyanopropyl(ethyl)amino]-N-methylacetamide
CID 54983448

Frequently Asked Questions

What is the IUPAC name of N,N-bis(2-cyanoethyl)-2-[ethyl-(2-hydroxy-2-methylpropyl)amino]acetamide?
The IUPAC name of N,N-bis(2-cyanoethyl)-2-[ethyl-(2-hydroxy-2-methylpropyl)amino]acetamide (CID 78962384) is N,N-bis(2-cyanoethyl)-2-[ethyl-(2-hydroxy-2-methylpropyl)amino]acetamide.
What is the SMILES notation for N,N-bis(2-cyanoethyl)-2-[ethyl-(2-hydroxy-2-methylpropyl)amino]acetamide?
The canonical SMILES for N,N-bis(2-cyanoethyl)-2-[ethyl-(2-hydroxy-2-methylpropyl)amino]acetamide is CCN(CC(=O)N(CCC#N)CCC#N)CC(C)(C)O.
What is the InChIKey of N,N-bis(2-cyanoethyl)-2-[ethyl-(2-hydroxy-2-methylpropyl)amino]acetamide?
The InChIKey is LIKONGDXVQLCOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O2/c1-4-17(12-14(2,3)20)11-13(19)18(9-5-7-15)10-6-8-16/h20H,4-6,9-12H2,1-3H3.
What are the key properties of N,N-bis(2-cyanoethyl)-2-[ethyl-(2-hydroxy-2-methylpropyl)amino]acetamide?
N,N-bis(2-cyanoethyl)-2-[ethyl-(2-hydroxy-2-methylpropyl)amino]acetamide has a molecular weight of 280.37 g/mol, XLogP of 0.74, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(2-cyanoethyl)-2-[ethyl-(2-hydroxy-2-methylpropyl)amino]acetamide is sourced from PubChem (CID 78962384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).