2-cyclohexyl-N-[2-oxo-2-(2-pyrrolidin-3-ylethylamino)ethyl]acetamide

C16H29N3O2 — CID 119534347

IUPAC2-cyclohexyl-N-[2-oxo-2-(2-pyrrolidin-3-ylethylamino)ethyl]acetamide
SMILESO=C(CNC(=O)CC1CCCCC1)NCCC1CCNC1
InChIInChI=1S/C16H29N3O2/c20-15(10-13-4-2-1-3-5-13)19-12-16(21)18-9-7-14-6-8-17-11-14/h13-14,17H,1-12H2,(H,18,21)(H,19,20)
InChIKeyDEQQZCAZFKONQD-UHFFFAOYSA-N
MW295.43 g/mol
LogP1.19
Rot. Bonds7

About 2-cyclohexyl-N-[2-oxo-2-(2-pyrrolidin-3-ylethylamino)ethyl]acetamide

2-cyclohexyl-N-[2-oxo-2-(2-pyrrolidin-3-ylethylamino)ethyl]acetamide (PubChem CID 119534347) has the molecular formula C16H29N3O2 and a molecular weight of 295.43 g/mol. Its IUPAC name is 2-cyclohexyl-N-[2-oxo-2-(2-pyrrolidin-3-ylethylamino)ethyl]acetamide.

Molecular Properties

Compound Name2-cyclohexyl-N-[2-oxo-2-(2-pyrrolidin-3-ylethylamino)ethyl]acetamide
PubChem CID119534347
Molecular FormulaC16H29N3O2
Molecular Weight295.43 g/mol
Exact Mass295.23
IUPAC Name2-cyclohexyl-N-[2-oxo-2-(2-pyrrolidin-3-ylethylamino)ethyl]acetamide
SMILESO=C(CNC(=O)CC1CCCCC1)NCCC1CCNC1
InChIInChI=1S/C16H29N3O2/c20-15(10-13-4-2-1-3-5-13)19-12-16(21)18-9-7-14-6-8-17-11-14/h13-14,17H,1-12H2,(H,18,21)(H,19,20)
InChIKeyDEQQZCAZFKONQD-UHFFFAOYSA-N
XLogP1.19
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.43
LogP ≤ 51.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyclohexyl-N-(2-piperidin-3-ylethyl)acetamide;hydrochloride
CID 119260693
2-cycloheptyl-N-(2-piperidin-3-ylethyl)acetamide;hydrochloride
CID 119557821
2-cyclopropyl-N-(2-piperidin-3-ylethyl)acetamide
CID 63628201
3-cyclopentyl-N-[2-oxo-2-(2-piperidin-3-ylethylamino)ethyl]propanamide
CID 119555898
2-(3-methylcyclopentyl)-N-(2-pyrrolidin-3-ylethyl)acetamide;hydrochloride
CID 119536431
N-(2-pyrrolidin-3-ylethyl)cycloheptanecarboxamide;hydrochloride
CID 119537193
N-[2-oxo-2-(2-piperidin-3-ylethylamino)ethyl]-2-phenylacetamide
CID 119555564
2-cycloheptyl-N-(piperidin-4-ylmethyl)acetamide
CID 115736681
N-(2-hydroxyethyl)-2-piperidin-3-ylacetamide
CID 22929447
2-cyclohexyl-N-[2-oxo-2-(3-piperazin-1-ylpropylamino)ethyl]acetamide;hydrochloride
CID 119391449
N-[2-[(2-cyclohexylacetyl)amino]ethyl]piperidine-4-carboxamide
CID 119313809
N-(2-pyrrolidin-3-ylethyl)-2-(3,3,5-trimethylcyclohexyl)acetamide
CID 119538141

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-N-[2-oxo-2-(2-pyrrolidin-3-ylethylamino)ethyl]acetamide?
The IUPAC name of 2-cyclohexyl-N-[2-oxo-2-(2-pyrrolidin-3-ylethylamino)ethyl]acetamide (CID 119534347) is 2-cyclohexyl-N-[2-oxo-2-(2-pyrrolidin-3-ylethylamino)ethyl]acetamide.
What is the SMILES notation for 2-cyclohexyl-N-[2-oxo-2-(2-pyrrolidin-3-ylethylamino)ethyl]acetamide?
The canonical SMILES for 2-cyclohexyl-N-[2-oxo-2-(2-pyrrolidin-3-ylethylamino)ethyl]acetamide is O=C(CNC(=O)CC1CCCCC1)NCCC1CCNC1.
What is the InChIKey of 2-cyclohexyl-N-[2-oxo-2-(2-pyrrolidin-3-ylethylamino)ethyl]acetamide?
The InChIKey is DEQQZCAZFKONQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3O2/c20-15(10-13-4-2-1-3-5-13)19-12-16(21)18-9-7-14-6-8-17-11-14/h13-14,17H,1-12H2,(H,18,21)(H,19,20).
What are the key properties of 2-cyclohexyl-N-[2-oxo-2-(2-pyrrolidin-3-ylethylamino)ethyl]acetamide?
2-cyclohexyl-N-[2-oxo-2-(2-pyrrolidin-3-ylethylamino)ethyl]acetamide has a molecular weight of 295.43 g/mol, XLogP of 1.19, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-N-[2-oxo-2-(2-pyrrolidin-3-ylethylamino)ethyl]acetamide is sourced from PubChem (CID 119534347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).