N-[2-(dimethylamino)ethyl]-2-[(1R,2R)-2-(2-methylpropanoyl)cyclohexyl]acetamide

C16H30N2O2 — CID 163738986

IUPACN-[2-(dimethylamino)ethyl]-2-[(1R,2R)-2-(2-methylpropanoyl)cyclohexyl]acetamide
SMILESCC(C)C(=O)[C@@H]1CCCC[C@@H]1CC(=O)NCCN(C)C
InChIInChI=1S/C16H30N2O2/c1-12(2)16(20)14-8-6-5-7-13(14)11-15(19)17-9-10-18(3)4/h12-14H,5-11H2,1-4H3,(H,17,19)/t13-,14-/m1/s1
InChIKeyLGCRTZVNPKRAKE-ZIAGYGMSSA-N
MW282.43 g/mol
LogP2.09
Rot. Bonds7

About N-[2-(dimethylamino)ethyl]-2-[(1R,2R)-2-(2-methylpropanoyl)cyclohexyl]acetamide

N-[2-(dimethylamino)ethyl]-2-[(1R,2R)-2-(2-methylpropanoyl)cyclohexyl]acetamide (PubChem CID 163738986) has the molecular formula C16H30N2O2 and a molecular weight of 282.43 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-2-[(1R,2R)-2-(2-methylpropanoyl)cyclohexyl]acetamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-2-[(1R,2R)-2-(2-methylpropanoyl)cyclohexyl]acetamide
PubChem CID163738986
Molecular FormulaC16H30N2O2
Molecular Weight282.43 g/mol
Exact Mass282.23
IUPAC NameN-[2-(dimethylamino)ethyl]-2-[(1R,2R)-2-(2-methylpropanoyl)cyclohexyl]acetamide
SMILESCC(C)C(=O)[C@@H]1CCCC[C@@H]1CC(=O)NCCN(C)C
InChIInChI=1S/C16H30N2O2/c1-12(2)16(20)14-8-6-5-7-13(14)11-15(19)17-9-10-18(3)4/h12-14H,5-11H2,1-4H3,(H,17,19)/t13-,14-/m1/s1
InChIKeyLGCRTZVNPKRAKE-ZIAGYGMSSA-N
XLogP2.09
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.43
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(dimethylamino)ethyl]-2-[(1S,2S)-2-propanoylcyclohexyl]acetamide
CID 143839933
N-[2-(dimethylamino)ethyl]-2-[(1S,2R)-2-hydroxycyclohexyl]acetamide;oxalic acid
CID 67929926
N-[2-(dimethylamino)ethyl]-2-(3,3-dimethyl-2-oxobutyl)cyclohexane-1-carboxamide
CID 123651432
2-(2-aminocyclohexyl)-N-[2-[di(propan-2-yl)amino]ethyl]acetamide
CID 62782488
2-[4-(aminomethyl)cyclohexyl]-N-[2-(dimethylamino)ethyl]acetamide
CID 63613727
2-methyl-1-[2-(2-methylpropyl)cyclopentyl]propan-1-one
CID 59682192
2-(2-aminocyclohexyl)-N-[2-[2-methoxyethyl(methyl)amino]ethyl]acetamide
CID 62849411
N-[2-(dimethylamino)ethyl]cyclohexanecarboxamide;dihydrochloride
CID 139348524
N-[2-[methyl(propan-2-yl)amino]ethyl]-2-pyrrolidin-2-ylacetamide;dihydrochloride
CID 119874434
N-[[(2R,3S,4R,5S)-5-[2-[2-(dimethylamino)ethylamino]-2-oxoethyl]-3,4-dihydroxyoxolan-2-yl]methyl]cyclopentanecarboxamide
CID 25390405
1-(2-aminocycloheptyl)-2-methylpropan-1-one
CID 116595078
2-amino-N-[3-(dimethylamino)propyl]cyclohexane-1-carboxamide
CID 62775948

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-2-[(1R,2R)-2-(2-methylpropanoyl)cyclohexyl]acetamide?
The IUPAC name of N-[2-(dimethylamino)ethyl]-2-[(1R,2R)-2-(2-methylpropanoyl)cyclohexyl]acetamide (CID 163738986) is N-[2-(dimethylamino)ethyl]-2-[(1R,2R)-2-(2-methylpropanoyl)cyclohexyl]acetamide.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-2-[(1R,2R)-2-(2-methylpropanoyl)cyclohexyl]acetamide?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-2-[(1R,2R)-2-(2-methylpropanoyl)cyclohexyl]acetamide is CC(C)C(=O)[C@@H]1CCCC[C@@H]1CC(=O)NCCN(C)C.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-2-[(1R,2R)-2-(2-methylpropanoyl)cyclohexyl]acetamide?
The InChIKey is LGCRTZVNPKRAKE-ZIAGYGMSSA-N. The full InChI is InChI=1S/C16H30N2O2/c1-12(2)16(20)14-8-6-5-7-13(14)11-15(19)17-9-10-18(3)4/h12-14H,5-11H2,1-4H3,(H,17,19)/t13-,14-/m1/s1.
What are the key properties of N-[2-(dimethylamino)ethyl]-2-[(1R,2R)-2-(2-methylpropanoyl)cyclohexyl]acetamide?
N-[2-(dimethylamino)ethyl]-2-[(1R,2R)-2-(2-methylpropanoyl)cyclohexyl]acetamide has a molecular weight of 282.43 g/mol, XLogP of 2.09, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-2-[(1R,2R)-2-(2-methylpropanoyl)cyclohexyl]acetamide is sourced from PubChem (CID 163738986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).