N-[(1-ethylpyrrolidin-3-yl)methyl]-2-(1-hydroxycyclohexyl)acetamide

C15H28N2O2 — CID 111537146

IUPACN-[(1-ethylpyrrolidin-3-yl)methyl]-2-(1-hydroxycyclohexyl)acetamide
SMILESCCN1CCC(CNC(=O)CC2(O)CCCCC2)C1
InChIInChI=1S/C15H28N2O2/c1-2-17-9-6-13(12-17)11-16-14(18)10-15(19)7-4-3-5-8-15/h13,19H,2-12H2,1H3,(H,16,18)
InChIKeyWPQWBRBIQQTZQX-UHFFFAOYSA-N
MW268.40 g/mol
LogP1.53
Rot. Bonds5

About N-[(1-ethylpyrrolidin-3-yl)methyl]-2-(1-hydroxycyclohexyl)acetamide

N-[(1-ethylpyrrolidin-3-yl)methyl]-2-(1-hydroxycyclohexyl)acetamide (PubChem CID 111537146) has the molecular formula C15H28N2O2 and a molecular weight of 268.40 g/mol. Its IUPAC name is N-[(1-ethylpyrrolidin-3-yl)methyl]-2-(1-hydroxycyclohexyl)acetamide.

Molecular Properties

Compound NameN-[(1-ethylpyrrolidin-3-yl)methyl]-2-(1-hydroxycyclohexyl)acetamide
PubChem CID111537146
Molecular FormulaC15H28N2O2
Molecular Weight268.40 g/mol
Exact Mass268.22
IUPAC NameN-[(1-ethylpyrrolidin-3-yl)methyl]-2-(1-hydroxycyclohexyl)acetamide
SMILESCCN1CCC(CNC(=O)CC2(O)CCCCC2)C1
InChIInChI=1S/C15H28N2O2/c1-2-17-9-6-13(12-17)11-16-14(18)10-15(19)7-4-3-5-8-15/h13,19H,2-12H2,1H3,(H,16,18)
InChIKeyWPQWBRBIQQTZQX-UHFFFAOYSA-N
XLogP1.53
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-(aminomethyl)cyclobutyl]-N-[(1-ethylpyrrolidin-3-yl)methyl]acetamide
CID 81179908
bis(N-[(1-ethylpyrrolidin-3-yl)methyl]acetamide);methane
CID 162144356
5-[(1-ethylpyrrolidin-3-yl)methylamino]-3-methyl-5-oxopentanoic acid
CID 62965394
2-(1-hydroxycyclopentyl)-N-[[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]methyl]acetamide
CID 111540531
2-cyclopentyl-N-[(1-ethylpiperidin-3-yl)methyl]acetamide
CID 75418465
2-[(1-ethylpyrrolidin-3-yl)methylcarbamoyl]cyclohexane-1-carboxylic acid
CID 60862754
2-[4-(aminomethyl)cyclohexyl]-N-[(1-ethylpyrrolidin-3-yl)methyl]acetamide
CID 63613060
N-[(1-ethylpyrrolidin-3-yl)methyl]-2-piperidin-3-ylacetamide
CID 62690196
2-amino-N-[(1-ethylpyrrolidin-3-yl)methyl]cyclopentane-1-carboxamide
CID 64824736
N-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]-2-(1-hydroxycyclopentyl)acetamide
CID 75423564
[1-[[(1-ethylpyrrolidin-3-yl)methylamino]methyl]cyclohexyl]methanol
CID 81418798
2-chloro-N-[(1-ethylpyrrolidin-3-yl)methylcarbamoyl]acetamide
CID 60856052

Frequently Asked Questions

What is the IUPAC name of N-[(1-ethylpyrrolidin-3-yl)methyl]-2-(1-hydroxycyclohexyl)acetamide?
The IUPAC name of N-[(1-ethylpyrrolidin-3-yl)methyl]-2-(1-hydroxycyclohexyl)acetamide (CID 111537146) is N-[(1-ethylpyrrolidin-3-yl)methyl]-2-(1-hydroxycyclohexyl)acetamide.
What is the SMILES notation for N-[(1-ethylpyrrolidin-3-yl)methyl]-2-(1-hydroxycyclohexyl)acetamide?
The canonical SMILES for N-[(1-ethylpyrrolidin-3-yl)methyl]-2-(1-hydroxycyclohexyl)acetamide is CCN1CCC(CNC(=O)CC2(O)CCCCC2)C1.
What is the InChIKey of N-[(1-ethylpyrrolidin-3-yl)methyl]-2-(1-hydroxycyclohexyl)acetamide?
The InChIKey is WPQWBRBIQQTZQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O2/c1-2-17-9-6-13(12-17)11-16-14(18)10-15(19)7-4-3-5-8-15/h13,19H,2-12H2,1H3,(H,16,18).
What are the key properties of N-[(1-ethylpyrrolidin-3-yl)methyl]-2-(1-hydroxycyclohexyl)acetamide?
N-[(1-ethylpyrrolidin-3-yl)methyl]-2-(1-hydroxycyclohexyl)acetamide has a molecular weight of 268.40 g/mol, XLogP of 1.53, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethylpyrrolidin-3-yl)methyl]-2-(1-hydroxycyclohexyl)acetamide is sourced from PubChem (CID 111537146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).