N-[1-(1-adamantyl)ethyl]-2-pyrrolidin-1-ylacetamide;hydrochloride

C18H31ClN2O — CID 2969318

IUPACN-[1-(1-adamantyl)ethyl]-2-pyrrolidin-1-ylacetamide;hydrochloride
SMILESCC(NC(=O)CN1CCCC1)C12CC3CC(CC(C3)C1)C2.Cl
InChIInChI=1S/C18H30N2O.ClH/c1-13(19-17(21)12-20-4-2-3-5-20)18-9-14-6-15(10-18)8-16(7-14)11-18;/h13-16H,2-12H2,1H3,(H,19,21);1H
InChIKeyFAMZESDZYDTCRV-UHFFFAOYSA-N
MW326.91 g/mol
LogP3.23
Rot. Bonds4

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

N-[1-(1-adamantyl)ethyl]-2-pyrrolidin-1-ylacetamide;hydrochloride (PubChem CID 2969318) has the molecular formula C18H31ClN2O and a molecular weight of 326.91 g/mol. Its IUPAC name is N-[1-(1-adamantyl)ethyl]-2-pyrrolidin-1-ylacetamide;hydrochloride.

Molecular Properties

Compound NameN-[1-(1-adamantyl)ethyl]-2-pyrrolidin-1-ylacetamide;hydrochloride
PubChem CID2969318
Molecular FormulaC18H31ClN2O
Molecular Weight326.91 g/mol
Exact Mass326.21
IUPAC NameN-[1-(1-adamantyl)ethyl]-2-pyrrolidin-1-ylacetamide;hydrochloride
SMILESCC(NC(=O)CN1CCCC1)C12CC3CC(CC(C3)C1)C2.Cl
InChIInChI=1S/C18H30N2O.ClH/c1-13(19-17(21)12-20-4-2-3-5-20)18-9-14-6-15(10-18)8-16(7-14)11-18;/h13-16H,2-12H2,1H3,(H,19,21);1H
InChIKeyFAMZESDZYDTCRV-UHFFFAOYSA-N
XLogP3.23
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.91
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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PF-877423
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CID 10902702
N-(adamantan-2-yl)-2-[cyclohexyl(ethyl)amino]acetamide
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CID 44327160
CID 44327160
(2R)-N-(adamantan-2-yl)-1-(propan-2-yl)pyrrolidine-2-carboxamide
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Frequently Asked Questions

What is the IUPAC name of N-[1-(1-adamantyl)ethyl]-2-pyrrolidin-1-ylacetamide;hydrochloride?
The IUPAC name of N-[1-(1-adamantyl)ethyl]-2-pyrrolidin-1-ylacetamide;hydrochloride (CID 2969318) is N-[1-(1-adamantyl)ethyl]-2-pyrrolidin-1-ylacetamide;hydrochloride.
What is the SMILES notation for N-[1-(1-adamantyl)ethyl]-2-pyrrolidin-1-ylacetamide;hydrochloride?
The canonical SMILES for N-[1-(1-adamantyl)ethyl]-2-pyrrolidin-1-ylacetamide;hydrochloride is CC(NC(=O)CN1CCCC1)C12CC3CC(CC(C3)C1)C2.Cl.
What is the InChIKey of N-[1-(1-adamantyl)ethyl]-2-pyrrolidin-1-ylacetamide;hydrochloride?
The InChIKey is FAMZESDZYDTCRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O.ClH/c1-13(19-17(21)12-20-4-2-3-5-20)18-9-14-6-15(10-18)8-16(7-14)11-18;/h13-16H,2-12H2,1H3,(H,19,21);1H.
What are the key properties of N-[1-(1-adamantyl)ethyl]-2-pyrrolidin-1-ylacetamide;hydrochloride?
N-[1-(1-adamantyl)ethyl]-2-pyrrolidin-1-ylacetamide;hydrochloride has a molecular weight of 326.91 g/mol, XLogP of 3.23, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-adamantyl)ethyl]-2-pyrrolidin-1-ylacetamide;hydrochloride is sourced from PubChem (CID 2969318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).