N-(2-morpholin-4-ylethyl)adamantane-1-carboxamide;hydrochloride

C17H29ClN2O2 — CID 2862148

IUPACN-(2-morpholin-4-ylethyl)adamantane-1-carboxamide;hydrochloride
SMILESCl.O=C(NCCN1CCOCC1)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C17H28N2O2.ClH/c20-16(18-1-2-19-3-5-21-6-4-19)17-10-13-7-14(11-17)9-15(8-13)12-17;/h13-15H,1-12H2,(H,18,20);1H
InChIKeyHYSZWNKZALCFJR-UHFFFAOYSA-N
MW328.88 g/mol
LogP2.07
Rot. Bonds4

About N-(2-morpholin-4-ylethyl)adamantane-1-carboxamide;hydrochloride

N-(2-morpholin-4-ylethyl)adamantane-1-carboxamide;hydrochloride (PubChem CID 2862148) has the molecular formula C17H29ClN2O2 and a molecular weight of 328.88 g/mol. Its IUPAC name is N-(2-morpholin-4-ylethyl)adamantane-1-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(2-morpholin-4-ylethyl)adamantane-1-carboxamide;hydrochloride
PubChem CID2862148
Molecular FormulaC17H29ClN2O2
Molecular Weight328.88 g/mol
Exact Mass328.19
IUPAC NameN-(2-morpholin-4-ylethyl)adamantane-1-carboxamide;hydrochloride
SMILESCl.O=C(NCCN1CCOCC1)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C17H28N2O2.ClH/c20-16(18-1-2-19-3-5-21-6-4-19)17-10-13-7-14(11-17)9-15(8-13)12-17;/h13-15H,1-12H2,(H,18,20);1H
InChIKeyHYSZWNKZALCFJR-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-(2-morpholin-4-ylethyl)adamantane-1-carboxamide;hydrochloride?
The IUPAC name of N-(2-morpholin-4-ylethyl)adamantane-1-carboxamide;hydrochloride (CID 2862148) is N-(2-morpholin-4-ylethyl)adamantane-1-carboxamide;hydrochloride.
What is the SMILES notation for N-(2-morpholin-4-ylethyl)adamantane-1-carboxamide;hydrochloride?
The canonical SMILES for N-(2-morpholin-4-ylethyl)adamantane-1-carboxamide;hydrochloride is Cl.O=C(NCCN1CCOCC1)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of N-(2-morpholin-4-ylethyl)adamantane-1-carboxamide;hydrochloride?
The InChIKey is HYSZWNKZALCFJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O2.ClH/c20-16(18-1-2-19-3-5-21-6-4-19)17-10-13-7-14(11-17)9-15(8-13)12-17;/h13-15H,1-12H2,(H,18,20);1H.
What are the key properties of N-(2-morpholin-4-ylethyl)adamantane-1-carboxamide;hydrochloride?
N-(2-morpholin-4-ylethyl)adamantane-1-carboxamide;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-(2-morpholin-4-ylethyl)adamantane-1-carboxamide;hydrochloride is sourced from PubChem (CID 2862148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).