N-(3-morpholin-4-ylpropyl)adamantane-1-carboxamide

C18H30N2O2 — CID 3132637

IUPACN-(3-morpholin-4-ylpropyl)adamantane-1-carboxamide
SMILESO=C(NCCCN1CCOCC1)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C18H30N2O2/c21-17(19-2-1-3-20-4-6-22-7-5-20)18-11-14-8-15(12-18)10-16(9-14)13-18/h14-16H,1-13H2,(H,19,21)
InChIKeyQRJFNEXTJAMXDD-UHFFFAOYSA-N
MW306.45 g/mol
LogP2.04
Rot. Bonds5

About N-(3-morpholin-4-ylpropyl)adamantane-1-carboxamide

N-(3-morpholin-4-ylpropyl)adamantane-1-carboxamide (PubChem CID 3132637) has the molecular formula C18H30N2O2 and a molecular weight of 306.45 g/mol. Its IUPAC name is N-(3-morpholin-4-ylpropyl)adamantane-1-carboxamide.

Molecular Properties

Compound NameN-(3-morpholin-4-ylpropyl)adamantane-1-carboxamide
PubChem CID3132637
Molecular FormulaC18H30N2O2
Molecular Weight306.45 g/mol
Exact Mass306.23
IUPAC NameN-(3-morpholin-4-ylpropyl)adamantane-1-carboxamide
SMILESO=C(NCCCN1CCOCC1)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C18H30N2O2/c21-17(19-2-1-3-20-4-6-22-7-5-20)18-11-14-8-15(12-18)10-16(9-14)13-18/h14-16H,1-13H2,(H,19,21)
InChIKeyQRJFNEXTJAMXDD-UHFFFAOYSA-N
XLogP2.04
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.45
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(3-morpholin-4-ylpropyl)adamantane-1-carboxamide?
The IUPAC name of N-(3-morpholin-4-ylpropyl)adamantane-1-carboxamide (CID 3132637) is N-(3-morpholin-4-ylpropyl)adamantane-1-carboxamide.
What is the SMILES notation for N-(3-morpholin-4-ylpropyl)adamantane-1-carboxamide?
The canonical SMILES for N-(3-morpholin-4-ylpropyl)adamantane-1-carboxamide is O=C(NCCCN1CCOCC1)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of N-(3-morpholin-4-ylpropyl)adamantane-1-carboxamide?
The InChIKey is QRJFNEXTJAMXDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O2/c21-17(19-2-1-3-20-4-6-22-7-5-20)18-11-14-8-15(12-18)10-16(9-14)13-18/h14-16H,1-13H2,(H,19,21).
What are the key properties of N-(3-morpholin-4-ylpropyl)adamantane-1-carboxamide?
N-(3-morpholin-4-ylpropyl)adamantane-1-carboxamide has a molecular weight of 306.45 g/mol, XLogP of 2.04, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-morpholin-4-ylpropyl)adamantane-1-carboxamide is sourced from PubChem (CID 3132637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).