N-(1-adamantylmethyl)-2-morpholin-4-ylacetamide;hydrochloride

C17H29ClN2O2 — CID 2858735

IUPACN-(1-adamantylmethyl)-2-morpholin-4-ylacetamide;hydrochloride
SMILESCl.O=C(CN1CCOCC1)NCC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C17H28N2O2.ClH/c20-16(11-19-1-3-21-4-2-19)18-12-17-8-13-5-14(9-17)7-15(6-13)10-17;/h13-15H,1-12H2,(H,18,20);1H
InChIKeyPHMZCPLNSAYGOC-UHFFFAOYSA-N
MW328.88 g/mol
LogP2.07
Rot. Bonds4

About N-(1-adamantylmethyl)-2-morpholin-4-ylacetamide;hydrochloride

N-(1-adamantylmethyl)-2-morpholin-4-ylacetamide;hydrochloride (PubChem CID 2858735) has the molecular formula C17H29ClN2O2 and a molecular weight of 328.88 g/mol. Its IUPAC name is N-(1-adamantylmethyl)-2-morpholin-4-ylacetamide;hydrochloride.

Molecular Properties

Compound NameN-(1-adamantylmethyl)-2-morpholin-4-ylacetamide;hydrochloride
PubChem CID2858735
Molecular FormulaC17H29ClN2O2
Molecular Weight328.88 g/mol
Exact Mass328.19
IUPAC NameN-(1-adamantylmethyl)-2-morpholin-4-ylacetamide;hydrochloride
SMILESCl.O=C(CN1CCOCC1)NCC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C17H28N2O2.ClH/c20-16(11-19-1-3-21-4-2-19)18-12-17-8-13-5-14(9-17)7-15(6-13)10-17;/h13-15H,1-12H2,(H,18,20);1H
InChIKeyPHMZCPLNSAYGOC-UHFFFAOYSA-N
XLogP2.07
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.88
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1-adamantylmethyl)-2-morpholin-4-ylacetamide;hydrochloride?
The IUPAC name of N-(1-adamantylmethyl)-2-morpholin-4-ylacetamide;hydrochloride (CID 2858735) is N-(1-adamantylmethyl)-2-morpholin-4-ylacetamide;hydrochloride.
What is the SMILES notation for N-(1-adamantylmethyl)-2-morpholin-4-ylacetamide;hydrochloride?
The canonical SMILES for N-(1-adamantylmethyl)-2-morpholin-4-ylacetamide;hydrochloride is Cl.O=C(CN1CCOCC1)NCC12CC3CC(CC(C3)C1)C2.
What is the InChIKey of N-(1-adamantylmethyl)-2-morpholin-4-ylacetamide;hydrochloride?
The InChIKey is PHMZCPLNSAYGOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O2.ClH/c20-16(11-19-1-3-21-4-2-19)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-morpholin-4-ylacetamide;hydrochloride?
N-(1-adamantylmethyl)-2-morpholin-4-ylacetamide;hydrochloride has a molecular weight of 328.88 g/mol, XLogP of 2.07, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-adamantylmethyl)-2-morpholin-4-ylacetamide;hydrochloride is sourced from PubChem (CID 2858735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).