N-cyclohexyl-2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-N-propan-2-ylacetamide

C16H30N2O2 — CID 78942608

IUPACN-cyclohexyl-2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-N-propan-2-ylacetamide
SMILESCC(C)N(C(=O)CN1CCC[C@H]1CO)C1CCCCC1
InChIInChI=1S/C16H30N2O2/c1-13(2)18(14-7-4-3-5-8-14)16(20)11-17-10-6-9-15(17)12-19/h13-15,19H,3-12H2,1-2H3/t15-/m0/s1
InChIKeyJAWNNEGMDGONES-HNNXBMFYSA-N
MW282.43 g/mol
LogP2.01
Rot. Bonds5

About N-cyclohexyl-2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-N-propan-2-ylacetamide

N-cyclohexyl-2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-N-propan-2-ylacetamide (PubChem CID 78942608) has the molecular formula C16H30N2O2 and a molecular weight of 282.43 g/mol. Its IUPAC name is N-cyclohexyl-2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-N-propan-2-ylacetamide.

Molecular Properties

Compound NameN-cyclohexyl-2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-N-propan-2-ylacetamide
PubChem CID78942608
Molecular FormulaC16H30N2O2
Molecular Weight282.43 g/mol
Exact Mass282.23
IUPAC NameN-cyclohexyl-2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-N-propan-2-ylacetamide
SMILESCC(C)N(C(=O)CN1CCC[C@H]1CO)C1CCCCC1
InChIInChI=1S/C16H30N2O2/c1-13(2)18(14-7-4-3-5-8-14)16(20)11-17-10-6-9-15(17)12-19/h13-15,19H,3-12H2,1-2H3/t15-/m0/s1
InChIKeyJAWNNEGMDGONES-HNNXBMFYSA-N
XLogP2.01
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.43
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclohexyl-N-ethyl-2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]acetamide
CID 78942251
N-cyclohexyl-2-[2-(hydroxymethyl)piperidin-1-yl]-N-methylacetamide
CID 60684649
2-[2-(hydroxymethyl)azepan-1-yl]-N,N-dimethylacetamide
CID 116637269
N,N-diethyl-2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]acetamide
CID 62733674
N-cyclohexyl-2-[(3R)-3-hydroxypyrrolidin-1-yl]-N-propan-2-ylacetamide
CID 78963297
2-[2-(hydroxymethyl)piperidin-1-yl]-N-methyl-N-(4-methylpentan-2-yl)acetamide
CID 110898913
2-[2-(aminomethyl)pyrrolidin-1-yl]-N,N-di(propan-2-yl)acetamide;hydrochloride
CID 119926999
1-cyclopropyl-2-[2-(hydroxymethyl)azepan-1-yl]ethanone
CID 116635350
2-[2-(2-hydroxypropyl)azepan-1-yl]-N-methyl-N-propan-2-ylacetamide
CID 114338856
2-[2-(aminomethyl)piperidin-1-yl]-N-methyl-N-propan-2-ylacetamide
CID 43186999
1-[2-[cyclopentyl(propan-2-yl)amino]-2-oxoethyl]pyrrolidine-3-carboxylic acid
CID 119904470
N,N'-dicyclohexyl-N,N'-di(propan-2-yl)dodecanediamide
CID 20752266

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-N-propan-2-ylacetamide?
The IUPAC name of N-cyclohexyl-2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-N-propan-2-ylacetamide (CID 78942608) is N-cyclohexyl-2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-N-propan-2-ylacetamide.
What is the SMILES notation for N-cyclohexyl-2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-N-propan-2-ylacetamide?
The canonical SMILES for N-cyclohexyl-2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-N-propan-2-ylacetamide is CC(C)N(C(=O)CN1CCC[C@H]1CO)C1CCCCC1.
What is the InChIKey of N-cyclohexyl-2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-N-propan-2-ylacetamide?
The InChIKey is JAWNNEGMDGONES-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H30N2O2/c1-13(2)18(14-7-4-3-5-8-14)16(20)11-17-10-6-9-15(17)12-19/h13-15,19H,3-12H2,1-2H3/t15-/m0/s1.
What are the key properties of N-cyclohexyl-2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-N-propan-2-ylacetamide?
N-cyclohexyl-2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-N-propan-2-ylacetamide has a molecular weight of 282.43 g/mol, XLogP of 2.01, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-N-propan-2-ylacetamide is sourced from PubChem (CID 78942608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).