N-(1-cyanocycloheptyl)-2-[[2-(dimethylamino)-2-oxoethyl]-methylamino]acetamide

C15H26N4O2 — CID 134018511

IUPACN-(1-cyanocycloheptyl)-2-[[2-(dimethylamino)-2-oxoethyl]-methylamino]acetamide
SMILESCN(CC(=O)NC1(C#N)CCCCCC1)CC(=O)N(C)C
InChIInChI=1S/C15H26N4O2/c1-18(2)14(21)11-19(3)10-13(20)17-15(12-16)8-6-4-5-7-9-15/h4-11H2,1-3H3,(H,17,20)
InChIKeyCIVLPGGIIYCWKP-UHFFFAOYSA-N
MW294.40 g/mol
LogP0.74
Rot. Bonds5

About N-(1-cyanocycloheptyl)-2-[[2-(dimethylamino)-2-oxoethyl]-methylamino]acetamide

N-(1-cyanocycloheptyl)-2-[[2-(dimethylamino)-2-oxoethyl]-methylamino]acetamide (PubChem CID 134018511) has the molecular formula C15H26N4O2 and a molecular weight of 294.40 g/mol. Its IUPAC name is N-(1-cyanocycloheptyl)-2-[[2-(dimethylamino)-2-oxoethyl]-methylamino]acetamide.

Molecular Properties

Compound NameN-(1-cyanocycloheptyl)-2-[[2-(dimethylamino)-2-oxoethyl]-methylamino]acetamide
PubChem CID134018511
Molecular FormulaC15H26N4O2
Molecular Weight294.40 g/mol
Exact Mass294.21
IUPAC NameN-(1-cyanocycloheptyl)-2-[[2-(dimethylamino)-2-oxoethyl]-methylamino]acetamide
SMILESCN(CC(=O)NC1(C#N)CCCCCC1)CC(=O)N(C)C
InChIInChI=1S/C15H26N4O2/c1-18(2)14(21)11-19(3)10-13(20)17-15(12-16)8-6-4-5-7-9-15/h4-11H2,1-3H3,(H,17,20)
InChIKeyCIVLPGGIIYCWKP-UHFFFAOYSA-N
XLogP0.74
TPSA76.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-cyanocyclohexyl)-2-[ethyl(methyl)amino]acetamide
CID 60516717
methyl 2-[[2-[(1-cyanocyclohexyl)amino]-2-oxoethyl]-methylamino]acetate
CID 60660513
2-[2-aminoethyl(methyl)amino]-N-(1-cyanocyclohexyl)acetamide
CID 62687725
N-(1-cyanocycloheptyl)-2-[methyl-(2-morpholin-4-yl-2-oxoethyl)amino]acetamide
CID 134018510
N-(1-cyanocyclopentyl)propanamide
CID 55029198
N-(1-cyanocycloheptyl)-2-[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]acetamide
CID 30667289
N-(1-cyanocyclopentyl)-2-[methyl(2-piperazin-1-ylethyl)amino]acetamide
CID 63265641
2-bromo-N-(1-cyanocycloheptyl)acetamide
CID 63680243
N-(1-cyanocyclooctyl)-3,3-dimethylbutanamide
CID 54904649
2-[[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-methylamino]-N-(1-cyanocyclohexyl)acetamide
CID 18270422
N-(1-cyanocyclooctyl)-3-methylsulfanylpropanamide
CID 60968545
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[[2-[(1-cyanocycloheptyl)amino]-2-oxoethyl]-methylamino]acetamide
CID 38357458

Frequently Asked Questions

What is the IUPAC name of N-(1-cyanocycloheptyl)-2-[[2-(dimethylamino)-2-oxoethyl]-methylamino]acetamide?
The IUPAC name of N-(1-cyanocycloheptyl)-2-[[2-(dimethylamino)-2-oxoethyl]-methylamino]acetamide (CID 134018511) is N-(1-cyanocycloheptyl)-2-[[2-(dimethylamino)-2-oxoethyl]-methylamino]acetamide.
What is the SMILES notation for N-(1-cyanocycloheptyl)-2-[[2-(dimethylamino)-2-oxoethyl]-methylamino]acetamide?
The canonical SMILES for N-(1-cyanocycloheptyl)-2-[[2-(dimethylamino)-2-oxoethyl]-methylamino]acetamide is CN(CC(=O)NC1(C#N)CCCCCC1)CC(=O)N(C)C.
What is the InChIKey of N-(1-cyanocycloheptyl)-2-[[2-(dimethylamino)-2-oxoethyl]-methylamino]acetamide?
The InChIKey is CIVLPGGIIYCWKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O2/c1-18(2)14(21)11-19(3)10-13(20)17-15(12-16)8-6-4-5-7-9-15/h4-11H2,1-3H3,(H,17,20).
What are the key properties of N-(1-cyanocycloheptyl)-2-[[2-(dimethylamino)-2-oxoethyl]-methylamino]acetamide?
N-(1-cyanocycloheptyl)-2-[[2-(dimethylamino)-2-oxoethyl]-methylamino]acetamide has a molecular weight of 294.40 g/mol, XLogP of 0.74, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyanocycloheptyl)-2-[[2-(dimethylamino)-2-oxoethyl]-methylamino]acetamide is sourced from PubChem (CID 134018511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).