N-(2-adamantyl)-2-pyrrolidin-1-ylacetamide;hydrochloride

C16H27ClN2O — CID 2941483

IUPACN-(2-adamantyl)-2-pyrrolidin-1-ylacetamide;hydrochloride
SMILESCl.O=C(CN1CCCC1)NC1C2CC3CC(C2)CC1C3
InChIInChI=1S/C16H26N2O.ClH/c19-15(10-18-3-1-2-4-18)17-16-13-6-11-5-12(8-13)9-14(16)7-11;/h11-14,16H,1-10H2,(H,17,19);1H
InChIKeyCEGCQEGZOZTBDO-UHFFFAOYSA-N
MW298.86 g/mol
LogP2.44
Rot. Bonds3

About N-(2-adamantyl)-2-pyrrolidin-1-ylacetamide;hydrochloride

N-(2-adamantyl)-2-pyrrolidin-1-ylacetamide;hydrochloride (PubChem CID 2941483) has the molecular formula C16H27ClN2O and a molecular weight of 298.86 g/mol. Its IUPAC name is N-(2-adamantyl)-2-pyrrolidin-1-ylacetamide;hydrochloride.

Molecular Properties

Compound NameN-(2-adamantyl)-2-pyrrolidin-1-ylacetamide;hydrochloride
PubChem CID2941483
Molecular FormulaC16H27ClN2O
Molecular Weight298.86 g/mol
Exact Mass298.18
IUPAC NameN-(2-adamantyl)-2-pyrrolidin-1-ylacetamide;hydrochloride
SMILESCl.O=C(CN1CCCC1)NC1C2CC3CC(C2)CC1C3
InChIInChI=1S/C16H26N2O.ClH/c19-15(10-18-3-1-2-4-18)17-16-13-6-11-5-12(8-13)9-14(16)7-11;/h11-14,16H,1-10H2,(H,17,19);1H
InChIKeyCEGCQEGZOZTBDO-UHFFFAOYSA-N
XLogP2.44
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.86
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2-adamantyl)-2-pyrrolidin-1-ylacetamide;hydrochloride?
The IUPAC name of N-(2-adamantyl)-2-pyrrolidin-1-ylacetamide;hydrochloride (CID 2941483) is N-(2-adamantyl)-2-pyrrolidin-1-ylacetamide;hydrochloride.
What is the SMILES notation for N-(2-adamantyl)-2-pyrrolidin-1-ylacetamide;hydrochloride?
The canonical SMILES for N-(2-adamantyl)-2-pyrrolidin-1-ylacetamide;hydrochloride is Cl.O=C(CN1CCCC1)NC1C2CC3CC(C2)CC1C3.
What is the InChIKey of N-(2-adamantyl)-2-pyrrolidin-1-ylacetamide;hydrochloride?
The InChIKey is CEGCQEGZOZTBDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O.ClH/c19-15(10-18-3-1-2-4-18)17-16-13-6-11-5-12(8-13)9-14(16)7-11;/h11-14,16H,1-10H2,(H,17,19);1H.
What are the key properties of N-(2-adamantyl)-2-pyrrolidin-1-ylacetamide;hydrochloride?
N-(2-adamantyl)-2-pyrrolidin-1-ylacetamide;hydrochloride has a molecular weight of 298.86 g/mol, XLogP of 2.44, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-adamantyl)-2-pyrrolidin-1-ylacetamide;hydrochloride is sourced from PubChem (CID 2941483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).