N-[2-(dimethylamino)ethyl]-2-[(1S,2S)-2-propanoylcyclohexyl]acetamide

C15H28N2O2 — CID 143839933

IUPACN-[2-(dimethylamino)ethyl]-2-[(1S,2S)-2-propanoylcyclohexyl]acetamide
SMILESCCC(=O)[C@H]1CCCC[C@H]1CC(=O)NCCN(C)C
InChIInChI=1S/C15H28N2O2/c1-4-14(18)13-8-6-5-7-12(13)11-15(19)16-9-10-17(2)3/h12-13H,4-11H2,1-3H3,(H,16,19)/t12-,13-/m0/s1
InChIKeyDBNVDOJIYQNIMZ-STQMWFEESA-N
MW268.40 g/mol
LogP1.84
Rot. Bonds7

About N-[2-(dimethylamino)ethyl]-2-[(1S,2S)-2-propanoylcyclohexyl]acetamide

N-[2-(dimethylamino)ethyl]-2-[(1S,2S)-2-propanoylcyclohexyl]acetamide (PubChem CID 143839933) has the molecular formula C15H28N2O2 and a molecular weight of 268.40 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-2-[(1S,2S)-2-propanoylcyclohexyl]acetamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-2-[(1S,2S)-2-propanoylcyclohexyl]acetamide
PubChem CID143839933
Molecular FormulaC15H28N2O2
Molecular Weight268.40 g/mol
Exact Mass268.22
IUPAC NameN-[2-(dimethylamino)ethyl]-2-[(1S,2S)-2-propanoylcyclohexyl]acetamide
SMILESCCC(=O)[C@H]1CCCC[C@H]1CC(=O)NCCN(C)C
InChIInChI=1S/C15H28N2O2/c1-4-14(18)13-8-6-5-7-12(13)11-15(19)16-9-10-17(2)3/h12-13H,4-11H2,1-3H3,(H,16,19)/t12-,13-/m0/s1
InChIKeyDBNVDOJIYQNIMZ-STQMWFEESA-N
XLogP1.84
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(dimethylamino)ethyl]-2-[(1R,2R)-2-(2-methylpropanoyl)cyclohexyl]acetamide
CID 163738986
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
1-[2-(methylaminomethyl)cyclopentyl]propan-1-one
CID 166977994
2-[4-(aminomethyl)cyclohexyl]-N-[2-(dimethylamino)ethyl]acetamide
CID 63613727
2-(2-aminocyclohexyl)-N-[2-[di(propan-2-yl)amino]ethyl]acetamide
CID 62782488
2-(2-aminocyclohexyl)-N-[2-[2-methoxyethyl(methyl)amino]ethyl]acetamide
CID 62849411
N,N-dimethyl-2-propanoylcyclohexane-1-carboxamide
CID 144530066
N-[2-(dimethylamino)ethyl]cyclohexanecarboxamide;dihydrochloride
CID 139348524
N-[2-(dimethylamino)ethyl]-2-[(3R,4S)-3-ethyl-1-(morpholine-4-carbonyl)piperidin-4-yl]acetamide
CID 11912031
N-[2-(dimethylamino)ethyl]-2-[3-ethyl-1-(morpholine-4-carbonyl)piperidin-4-yl]acetamide
CID 73138916
N-[[(2R,3S,4R,5S)-5-[2-[2-(dimethylamino)ethylamino]-2-oxoethyl]-3,4-dihydroxyoxolan-2-yl]methyl]cyclopentanecarboxamide
CID 25390405

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-2-[(1S,2S)-2-propanoylcyclohexyl]acetamide?
The IUPAC name of N-[2-(dimethylamino)ethyl]-2-[(1S,2S)-2-propanoylcyclohexyl]acetamide (CID 143839933) is N-[2-(dimethylamino)ethyl]-2-[(1S,2S)-2-propanoylcyclohexyl]acetamide.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-2-[(1S,2S)-2-propanoylcyclohexyl]acetamide?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-2-[(1S,2S)-2-propanoylcyclohexyl]acetamide is CCC(=O)[C@H]1CCCC[C@H]1CC(=O)NCCN(C)C.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-2-[(1S,2S)-2-propanoylcyclohexyl]acetamide?
The InChIKey is DBNVDOJIYQNIMZ-STQMWFEESA-N. The full InChI is InChI=1S/C15H28N2O2/c1-4-14(18)13-8-6-5-7-12(13)11-15(19)16-9-10-17(2)3/h12-13H,4-11H2,1-3H3,(H,16,19)/t12-,13-/m0/s1.
What are the key properties of N-[2-(dimethylamino)ethyl]-2-[(1S,2S)-2-propanoylcyclohexyl]acetamide?
N-[2-(dimethylamino)ethyl]-2-[(1S,2S)-2-propanoylcyclohexyl]acetamide has a molecular weight of 268.40 g/mol, XLogP of 1.84, 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-[(1S,2S)-2-propanoylcyclohexyl]acetamide is sourced from PubChem (CID 143839933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).