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

C17H29ClN2O — CID 2885947

IUPACN-(1-adamantylmethyl)-2-pyrrolidin-1-ylacetamide;hydrochloride
SMILESCl.O=C(CN1CCCC1)NCC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C17H28N2O.ClH/c20-16(11-19-3-1-2-4-19)18-12-17-8-13-5-14(9-17)7-15(6-13)10-17;/h13-15H,1-12H2,(H,18,20);1H
InChIKeyDCCAVBGKRITXEO-UHFFFAOYSA-N
MW312.89 g/mol
LogP2.84
Rot. Bonds4

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

N-(1-adamantylmethyl)-2-pyrrolidin-1-ylacetamide;hydrochloride (PubChem CID 2885947) has the molecular formula C17H29ClN2O and a molecular weight of 312.89 g/mol. Its IUPAC name is N-(1-adamantylmethyl)-2-pyrrolidin-1-ylacetamide;hydrochloride.

Molecular Properties

Compound NameN-(1-adamantylmethyl)-2-pyrrolidin-1-ylacetamide;hydrochloride
PubChem CID2885947
Molecular FormulaC17H29ClN2O
Molecular Weight312.89 g/mol
Exact Mass312.20
IUPAC NameN-(1-adamantylmethyl)-2-pyrrolidin-1-ylacetamide;hydrochloride
SMILESCl.O=C(CN1CCCC1)NCC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C17H28N2O.ClH/c20-16(11-19-3-1-2-4-19)18-12-17-8-13-5-14(9-17)7-15(6-13)10-17;/h13-15H,1-12H2,(H,18,20);1H
InChIKeyDCCAVBGKRITXEO-UHFFFAOYSA-N
XLogP2.84
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.89
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(1-adamantylmethyl)-2-pyrrolidin-1-ylacetamide;hydrochloride?
The IUPAC name of N-(1-adamantylmethyl)-2-pyrrolidin-1-ylacetamide;hydrochloride (CID 2885947) is N-(1-adamantylmethyl)-2-pyrrolidin-1-ylacetamide;hydrochloride.
What is the SMILES notation for N-(1-adamantylmethyl)-2-pyrrolidin-1-ylacetamide;hydrochloride?
The canonical SMILES for N-(1-adamantylmethyl)-2-pyrrolidin-1-ylacetamide;hydrochloride is Cl.O=C(CN1CCCC1)NCC12CC3CC(CC(C3)C1)C2.
What is the InChIKey of N-(1-adamantylmethyl)-2-pyrrolidin-1-ylacetamide;hydrochloride?
The InChIKey is DCCAVBGKRITXEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O.ClH/c20-16(11-19-3-1-2-4-19)18-12-17-8-13-5-14(9-17)7-15(6-13)10-17;/h13-15H,1-12H2,(H,18,20);1H.
What are the key properties of N-(1-adamantylmethyl)-2-pyrrolidin-1-ylacetamide;hydrochloride?
N-(1-adamantylmethyl)-2-pyrrolidin-1-ylacetamide;hydrochloride has a molecular weight of 312.89 g/mol, XLogP of 2.84, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-adamantylmethyl)-2-pyrrolidin-1-ylacetamide;hydrochloride is sourced from PubChem (CID 2885947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).