N-cycloheptyl-2-[3-(1-hydroxyethyl)pyrrolidin-1-yl]acetamide

C15H28N2O2 — CID 112628204

IUPACN-cycloheptyl-2-[3-(1-hydroxyethyl)pyrrolidin-1-yl]acetamide
SMILESCC(O)C1CCN(CC(=O)NC2CCCCCC2)C1
InChIInChI=1S/C15H28N2O2/c1-12(18)13-8-9-17(10-13)11-15(19)16-14-6-4-2-3-5-7-14/h12-14,18H,2-11H2,1H3,(H,16,19)
InChIKeyJPWSMKUKHOOHOT-UHFFFAOYSA-N
MW268.40 g/mol
LogP1.53
Rot. Bonds4

About N-cycloheptyl-2-[3-(1-hydroxyethyl)pyrrolidin-1-yl]acetamide

N-cycloheptyl-2-[3-(1-hydroxyethyl)pyrrolidin-1-yl]acetamide (PubChem CID 112628204) has the molecular formula C15H28N2O2 and a molecular weight of 268.40 g/mol. Its IUPAC name is N-cycloheptyl-2-[3-(1-hydroxyethyl)pyrrolidin-1-yl]acetamide.

Molecular Properties

Compound NameN-cycloheptyl-2-[3-(1-hydroxyethyl)pyrrolidin-1-yl]acetamide
PubChem CID112628204
Molecular FormulaC15H28N2O2
Molecular Weight268.40 g/mol
Exact Mass268.22
IUPAC NameN-cycloheptyl-2-[3-(1-hydroxyethyl)pyrrolidin-1-yl]acetamide
SMILESCC(O)C1CCN(CC(=O)NC2CCCCCC2)C1
InChIInChI=1S/C15H28N2O2/c1-12(18)13-8-9-17(10-13)11-15(19)16-14-6-4-2-3-5-7-14/h12-14,18H,2-11H2,1H3,(H,16,19)
InChIKeyJPWSMKUKHOOHOT-UHFFFAOYSA-N
XLogP1.53
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
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

N-(1-ethylpiperidin-4-yl)-2-[3-(1-hydroxyethyl)pyrrolidin-1-yl]acetamide
CID 110019949
N-cyclohexyl-3-[3-(1-hydroxyethyl)pyrrolidin-1-yl]propanamide
CID 112628386
2-[3-(1-aminoethyl)piperidin-1-yl]-N-cycloheptylacetamide;hydrochloride
CID 119925682
2-(4-amino-3-ethylpiperidin-1-yl)-N-cycloheptylacetamide
CID 81458998
N-cyclopentyl-2-[(3R)-3-hydroxypyrrolidin-1-yl]acetamide
CID 78962574
N-cyclooctyl-2-[3-(methylamino)piperidin-1-yl]acetamide;hydrochloride
CID 119918786
1-[2-(cyclooctylamino)-2-oxoethyl]pyrrolidine-3-carboxylic acid
CID 119904852
N-cyclopropyl-2-[3-[1-(methylamino)ethyl]piperidin-1-yl]acetamide
CID 63854794
N-cyclohexyl-2-[3-methyl-4-(methylamino)piperidin-1-yl]acetamide
CID 114499077
2-[4-[(1S)-1-hydroxyethyl]piperidin-1-yl]-N-[(1S,2S)-2-methylcyclohexyl]acetamide
CID 98764091
N-cyclohexyl-2-[(3S)-3-hydroxypiperidin-1-yl]acetamide
CID 107225773
N-cyclohexyl-2-[3-(piperidine-1-carbonyl)pyrrolidin-1-yl]acetamide
CID 166605706

Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-2-[3-(1-hydroxyethyl)pyrrolidin-1-yl]acetamide?
The IUPAC name of N-cycloheptyl-2-[3-(1-hydroxyethyl)pyrrolidin-1-yl]acetamide (CID 112628204) is N-cycloheptyl-2-[3-(1-hydroxyethyl)pyrrolidin-1-yl]acetamide.
What is the SMILES notation for N-cycloheptyl-2-[3-(1-hydroxyethyl)pyrrolidin-1-yl]acetamide?
The canonical SMILES for N-cycloheptyl-2-[3-(1-hydroxyethyl)pyrrolidin-1-yl]acetamide is CC(O)C1CCN(CC(=O)NC2CCCCCC2)C1.
What is the InChIKey of N-cycloheptyl-2-[3-(1-hydroxyethyl)pyrrolidin-1-yl]acetamide?
The InChIKey is JPWSMKUKHOOHOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O2/c1-12(18)13-8-9-17(10-13)11-15(19)16-14-6-4-2-3-5-7-14/h12-14,18H,2-11H2,1H3,(H,16,19).
What are the key properties of N-cycloheptyl-2-[3-(1-hydroxyethyl)pyrrolidin-1-yl]acetamide?
N-cycloheptyl-2-[3-(1-hydroxyethyl)pyrrolidin-1-yl]acetamide has a molecular weight of 268.40 g/mol, XLogP of 1.53, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-2-[3-(1-hydroxyethyl)pyrrolidin-1-yl]acetamide is sourced from PubChem (CID 112628204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).