N-cyclopropyl-2-[2-(2-hydroxycyclohexyl)pyrrolidin-1-yl]-N-methylacetamide

C16H28N2O2 — CID 114339601

IUPACN-cyclopropyl-2-[2-(2-hydroxycyclohexyl)pyrrolidin-1-yl]-N-methylacetamide
SMILESCN(C(=O)CN1CCCC1C1CCCCC1O)C1CC1
InChIInChI=1S/C16H28N2O2/c1-17(12-8-9-12)16(20)11-18-10-4-6-14(18)13-5-2-3-7-15(13)19/h12-15,19H,2-11H2,1H3
InChIKeyQBQYBNQQIAVVFX-UHFFFAOYSA-N
MW280.41 g/mol
LogP1.62
Rot. Bonds4

About N-cyclopropyl-2-[2-(2-hydroxycyclohexyl)pyrrolidin-1-yl]-N-methylacetamide

N-cyclopropyl-2-[2-(2-hydroxycyclohexyl)pyrrolidin-1-yl]-N-methylacetamide (PubChem CID 114339601) has the molecular formula C16H28N2O2 and a molecular weight of 280.41 g/mol. Its IUPAC name is N-cyclopropyl-2-[2-(2-hydroxycyclohexyl)pyrrolidin-1-yl]-N-methylacetamide.

Molecular Properties

Compound NameN-cyclopropyl-2-[2-(2-hydroxycyclohexyl)pyrrolidin-1-yl]-N-methylacetamide
PubChem CID114339601
Molecular FormulaC16H28N2O2
Molecular Weight280.41 g/mol
Exact Mass280.22
IUPAC NameN-cyclopropyl-2-[2-(2-hydroxycyclohexyl)pyrrolidin-1-yl]-N-methylacetamide
SMILESCN(C(=O)CN1CCCC1C1CCCCC1O)C1CC1
InChIInChI=1S/C16H28N2O2/c1-17(12-8-9-12)16(20)11-18-10-4-6-14(18)13-5-2-3-7-15(13)19/h12-15,19H,2-11H2,1H3
InChIKeyQBQYBNQQIAVVFX-UHFFFAOYSA-N
XLogP1.62
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.41
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[2-(2-hydroxycyclopentyl)piperidin-1-yl]-N,N-dimethylpropanamide
CID 114340046
N-cyclopropyl-2-[2-(2-hydroxycyclohexyl)pyrrolidin-1-yl]acetamide
CID 114339537
1-[2-[cyclopropyl(methyl)amino]-2-oxoethyl]pyrrolidine-2-carboxylic acid;hydrochloride
CID 119909272
N-ethyl-2-[2-(2-hydroxycyclopentyl)piperidin-1-yl]acetamide
CID 114340200
2-[1-(cyclohexylmethyl)pyrrolidin-2-yl]cyclohexan-1-ol
CID 114339715
2-(1-ethylpiperidin-2-yl)cyclohexan-1-ol
CID 114339807
N-cyclopropyl-2-[2-(2-hydroxycyclopentyl)pyrrolidin-1-yl]acetamide
CID 114339177
2-[2-(aminomethyl)piperidin-1-yl]-N-cyclopropyl-N-methylacetamide;hydrochloride
CID 119916251
N-tert-butyl-2-[2-(2-hydroxycyclopentyl)piperidin-1-yl]acetamide
CID 114340286
2-[2-(2-hydroxycyclohexyl)pyrrolidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
CID 114339583
N-cyclopropyl-N-methyl-2-[2-(methylaminomethyl)pyrrolidin-1-yl]acetamide;hydrochloride
CID 119928619
N-cyclopropyl-2-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]-N-methylacetamide
CID 97314178

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-[2-(2-hydroxycyclohexyl)pyrrolidin-1-yl]-N-methylacetamide?
The IUPAC name of N-cyclopropyl-2-[2-(2-hydroxycyclohexyl)pyrrolidin-1-yl]-N-methylacetamide (CID 114339601) is N-cyclopropyl-2-[2-(2-hydroxycyclohexyl)pyrrolidin-1-yl]-N-methylacetamide.
What is the SMILES notation for N-cyclopropyl-2-[2-(2-hydroxycyclohexyl)pyrrolidin-1-yl]-N-methylacetamide?
The canonical SMILES for N-cyclopropyl-2-[2-(2-hydroxycyclohexyl)pyrrolidin-1-yl]-N-methylacetamide is CN(C(=O)CN1CCCC1C1CCCCC1O)C1CC1.
What is the InChIKey of N-cyclopropyl-2-[2-(2-hydroxycyclohexyl)pyrrolidin-1-yl]-N-methylacetamide?
The InChIKey is QBQYBNQQIAVVFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O2/c1-17(12-8-9-12)16(20)11-18-10-4-6-14(18)13-5-2-3-7-15(13)19/h12-15,19H,2-11H2,1H3.
What are the key properties of N-cyclopropyl-2-[2-(2-hydroxycyclohexyl)pyrrolidin-1-yl]-N-methylacetamide?
N-cyclopropyl-2-[2-(2-hydroxycyclohexyl)pyrrolidin-1-yl]-N-methylacetamide has a molecular weight of 280.41 g/mol, XLogP of 1.62, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-[2-(2-hydroxycyclohexyl)pyrrolidin-1-yl]-N-methylacetamide is sourced from PubChem (CID 114339601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).