N-(2-tert-butylcyclohexyl)-2-pyrrolidin-2-ylacetamide

C16H30N2O — CID 61364034

IUPACN-(2-tert-butylcyclohexyl)-2-pyrrolidin-2-ylacetamide
SMILESCC(C)(C)C1CCCCC1NC(=O)CC1CCCN1
InChIInChI=1S/C16H30N2O/c1-16(2,3)13-8-4-5-9-14(13)18-15(19)11-12-7-6-10-17-12/h12-14,17H,4-11H2,1-3H3,(H,18,19)
InChIKeyLIXPRENRTHYYMK-UHFFFAOYSA-N
MW266.43 g/mol
LogP2.85
Rot. Bonds3

About N-(2-tert-butylcyclohexyl)-2-pyrrolidin-2-ylacetamide

N-(2-tert-butylcyclohexyl)-2-pyrrolidin-2-ylacetamide (PubChem CID 61364034) has the molecular formula C16H30N2O and a molecular weight of 266.43 g/mol. Its IUPAC name is N-(2-tert-butylcyclohexyl)-2-pyrrolidin-2-ylacetamide.

Molecular Properties

Compound NameN-(2-tert-butylcyclohexyl)-2-pyrrolidin-2-ylacetamide
PubChem CID61364034
Molecular FormulaC16H30N2O
Molecular Weight266.43 g/mol
Exact Mass266.24
IUPAC NameN-(2-tert-butylcyclohexyl)-2-pyrrolidin-2-ylacetamide
SMILESCC(C)(C)C1CCCCC1NC(=O)CC1CCCN1
InChIInChI=1S/C16H30N2O/c1-16(2,3)13-8-4-5-9-14(13)18-15(19)11-12-7-6-10-17-12/h12-14,17H,4-11H2,1-3H3,(H,18,19)
InChIKeyLIXPRENRTHYYMK-UHFFFAOYSA-N
XLogP2.85
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.43
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-N-(2-tert-butylcyclohexyl)pyrrolidine-2-carboxamide
CID 61155156
N-(2,3-dimethylcyclopentyl)-2-pyrrolidin-2-ylacetamide
CID 64908940
N-(2-methoxycyclopentyl)-2-piperidin-2-ylacetamide
CID 62087184
N-(2,3-dimethylcyclopentyl)-2-piperidin-2-ylacetamide
CID 64921620
N-tert-butyl-2-piperidin-2-ylacetamide
CID 43151334
N-cyclooctyl-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119674142
N-methyl-2-[(2R)-pyrrolidin-2-yl]acetamide
CID 66776546
N-methyl-2-[(2S)-pyrrolidin-2-yl]acetamide
CID 66778094
N-cycloheptyl-2-piperidin-2-ylacetamide
CID 43346201
N-(3-methylpentan-3-yl)-2-pyrrolidin-2-ylacetamide
CID 103811397
N-(3,3-dimethylcyclopentyl)-2-pyrrolidin-2-ylacetamide
CID 114546332
N-(2-methylpentan-2-yl)-2-pyrrolidin-2-ylacetamide
CID 115738895

Frequently Asked Questions

What is the IUPAC name of N-(2-tert-butylcyclohexyl)-2-pyrrolidin-2-ylacetamide?
The IUPAC name of N-(2-tert-butylcyclohexyl)-2-pyrrolidin-2-ylacetamide (CID 61364034) is N-(2-tert-butylcyclohexyl)-2-pyrrolidin-2-ylacetamide.
What is the SMILES notation for N-(2-tert-butylcyclohexyl)-2-pyrrolidin-2-ylacetamide?
The canonical SMILES for N-(2-tert-butylcyclohexyl)-2-pyrrolidin-2-ylacetamide is CC(C)(C)C1CCCCC1NC(=O)CC1CCCN1.
What is the InChIKey of N-(2-tert-butylcyclohexyl)-2-pyrrolidin-2-ylacetamide?
The InChIKey is LIXPRENRTHYYMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O/c1-16(2,3)13-8-4-5-9-14(13)18-15(19)11-12-7-6-10-17-12/h12-14,17H,4-11H2,1-3H3,(H,18,19).
What are the key properties of N-(2-tert-butylcyclohexyl)-2-pyrrolidin-2-ylacetamide?
N-(2-tert-butylcyclohexyl)-2-pyrrolidin-2-ylacetamide has a molecular weight of 266.43 g/mol, XLogP of 2.85, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-tert-butylcyclohexyl)-2-pyrrolidin-2-ylacetamide is sourced from PubChem (CID 61364034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).