N-cyclohexyl-N-ethyl-2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]acetamide

C15H28N2O2 — CID 78942251

IUPACN-cyclohexyl-N-ethyl-2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]acetamide
SMILESCCN(C(=O)CN1CCC[C@H]1CO)C1CCCCC1
InChIInChI=1S/C15H28N2O2/c1-2-17(13-7-4-3-5-8-13)15(19)11-16-10-6-9-14(16)12-18/h13-14,18H,2-12H2,1H3/t14-/m0/s1
InChIKeyUPFMVLNBEPNIKM-AWEZNQCLSA-N
MW268.40 g/mol
LogP1.62
Rot. Bonds5

About N-cyclohexyl-N-ethyl-2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]acetamide

N-cyclohexyl-N-ethyl-2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]acetamide (PubChem CID 78942251) has the molecular formula C15H28N2O2 and a molecular weight of 268.40 g/mol. Its IUPAC name is N-cyclohexyl-N-ethyl-2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]acetamide.

Molecular Properties

Compound NameN-cyclohexyl-N-ethyl-2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]acetamide
PubChem CID78942251
Molecular FormulaC15H28N2O2
Molecular Weight268.40 g/mol
Exact Mass268.22
IUPAC NameN-cyclohexyl-N-ethyl-2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]acetamide
SMILESCCN(C(=O)CN1CCC[C@H]1CO)C1CCCCC1
InChIInChI=1S/C15H28N2O2/c1-2-17(13-7-4-3-5-8-13)15(19)11-16-10-6-9-14(16)12-18/h13-14,18H,2-12H2,1H3/t14-/m0/s1
InChIKeyUPFMVLNBEPNIKM-AWEZNQCLSA-N
XLogP1.62
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N,N-diethyl-2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]acetamide
CID 62733674
N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-[2-(hydroxymethyl)pyrrolidin-1-yl]acetamide
CID 56829006
N-[(3R)-1,1-dioxothiolan-3-yl]-N-ethyl-2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]acetamide
CID 98765175
2-[2-(aminomethyl)pyrrolidin-1-yl]-N-cyclopropyl-N-ethylacetamide
CID 63760499
N-cyclohexyl-2-[2-(hydroxymethyl)piperidin-1-yl]-N-methylacetamide
CID 60684649
N-cyclohexyl-2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-N-propan-2-ylacetamide
CID 78942608
N-cyclopropyl-N-ethyl-2-[2-(2-oxopropyl)pyrrolidin-1-yl]acetamide
CID 79547130
2-[2-(hydroxymethyl)azepan-1-yl]-N,N-dimethylacetamide
CID 116637269
N-cyclopropyl-N-ethyl-2-[2-(2-hydroxypropyl)piperidin-1-yl]acetamide
CID 114338146
N-cyclohexyl-N-ethyl-2-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]acetamide
CID 102788933
N-cyclopropyl-N-ethyl-2-[2-(methylaminomethyl)piperidin-1-yl]acetamide
CID 63250442
2-[2-(3-aminopropyl)pyrrolidin-1-yl]-N-cyclopropyl-N-ethylacetamide
CID 55243372

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-N-ethyl-2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]acetamide?
The IUPAC name of N-cyclohexyl-N-ethyl-2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]acetamide (CID 78942251) is N-cyclohexyl-N-ethyl-2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]acetamide.
What is the SMILES notation for N-cyclohexyl-N-ethyl-2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]acetamide?
The canonical SMILES for N-cyclohexyl-N-ethyl-2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]acetamide is CCN(C(=O)CN1CCC[C@H]1CO)C1CCCCC1.
What is the InChIKey of N-cyclohexyl-N-ethyl-2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]acetamide?
The InChIKey is UPFMVLNBEPNIKM-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H28N2O2/c1-2-17(13-7-4-3-5-8-13)15(19)11-16-10-6-9-14(16)12-18/h13-14,18H,2-12H2,1H3/t14-/m0/s1.
What are the key properties of N-cyclohexyl-N-ethyl-2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]acetamide?
N-cyclohexyl-N-ethyl-2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]acetamide has a molecular weight of 268.40 g/mol, XLogP of 1.62, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-N-ethyl-2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]acetamide is sourced from PubChem (CID 78942251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).