N-[4-(2-phenylmorpholin-4-yl)butyl]adamantane-1-carboxamide

C25H36N2O2 — CID 16892600

IUPACN-[4-(2-phenylmorpholin-4-yl)butyl]adamantane-1-carboxamide
SMILESO=C(NCCCCN1CCOC(c2ccccc2)C1)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C25H36N2O2/c28-24(25-15-19-12-20(16-25)14-21(13-19)17-25)26-8-4-5-9-27-10-11-29-23(18-27)22-6-2-1-3-7-22/h1-3,6-7,19-21,23H,4-5,8-18H2,(H,26,28)
InChIKeyRVVIHGYYLIEVLN-UHFFFAOYSA-N
MW396.58 g/mol
LogP4.17
Rot. Bonds7

About N-[4-(2-phenylmorpholin-4-yl)butyl]adamantane-1-carboxamide

N-[4-(2-phenylmorpholin-4-yl)butyl]adamantane-1-carboxamide (PubChem CID 16892600) has the molecular formula C25H36N2O2 and a molecular weight of 396.58 g/mol. Its IUPAC name is N-[4-(2-phenylmorpholin-4-yl)butyl]adamantane-1-carboxamide.

Molecular Properties

Compound NameN-[4-(2-phenylmorpholin-4-yl)butyl]adamantane-1-carboxamide
PubChem CID16892600
Molecular FormulaC25H36N2O2
Molecular Weight396.58 g/mol
Exact Mass396.28
IUPAC NameN-[4-(2-phenylmorpholin-4-yl)butyl]adamantane-1-carboxamide
SMILESO=C(NCCCCN1CCOC(c2ccccc2)C1)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C25H36N2O2/c28-24(25-15-19-12-20(16-25)14-21(13-19)17-25)26-8-4-5-9-27-10-11-29-23(18-27)22-6-2-1-3-7-22/h1-3,6-7,19-21,23H,4-5,8-18H2,(H,26,28)
InChIKeyRVVIHGYYLIEVLN-UHFFFAOYSA-N
XLogP4.17
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.58
LogP ≤ 54.17
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-[4-(2-phenylmorpholin-4-yl)butyl]adamantane-1-carboxamide?
The IUPAC name of N-[4-(2-phenylmorpholin-4-yl)butyl]adamantane-1-carboxamide (CID 16892600) is N-[4-(2-phenylmorpholin-4-yl)butyl]adamantane-1-carboxamide.
What is the SMILES notation for N-[4-(2-phenylmorpholin-4-yl)butyl]adamantane-1-carboxamide?
The canonical SMILES for N-[4-(2-phenylmorpholin-4-yl)butyl]adamantane-1-carboxamide is O=C(NCCCCN1CCOC(c2ccccc2)C1)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of N-[4-(2-phenylmorpholin-4-yl)butyl]adamantane-1-carboxamide?
The InChIKey is RVVIHGYYLIEVLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H36N2O2/c28-24(25-15-19-12-20(16-25)14-21(13-19)17-25)26-8-4-5-9-27-10-11-29-23(18-27)22-6-2-1-3-7-22/h1-3,6-7,19-21,23H,4-5,8-18H2,(H,26,28).
What are the key properties of N-[4-(2-phenylmorpholin-4-yl)butyl]adamantane-1-carboxamide?
N-[4-(2-phenylmorpholin-4-yl)butyl]adamantane-1-carboxamide has a molecular weight of 396.58 g/mol, XLogP of 4.17, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-phenylmorpholin-4-yl)butyl]adamantane-1-carboxamide is sourced from PubChem (CID 16892600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).