N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]adamantane-1-carboxamide

C24H33NO3 — CID 27448906

IUPACN-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]adamantane-1-carboxamide
SMILESCOc1ccc(C2(CNC(=O)C34CC5CC(CC(C5)C3)C4)CCOCC2)cc1
InChIInChI=1S/C24H33NO3/c1-27-21-4-2-20(3-5-21)23(6-8-28-9-7-23)16-25-22(26)24-13-17-10-18(14-24)12-19(11-17)15-24/h2-5,17-19H,6-16H2,1H3,(H,25,26)
InChIKeyQGKFJSJPYRAKEM-UHFFFAOYSA-N
MW383.53 g/mol
LogP4.08
Rot. Bonds5

About N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]adamantane-1-carboxamide

N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]adamantane-1-carboxamide (PubChem CID 27448906) has the molecular formula C24H33NO3 and a molecular weight of 383.53 g/mol. Its IUPAC name is N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]adamantane-1-carboxamide.

Molecular Properties

Compound NameN-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]adamantane-1-carboxamide
PubChem CID27448906
Molecular FormulaC24H33NO3
Molecular Weight383.53 g/mol
Exact Mass383.25
IUPAC NameN-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]adamantane-1-carboxamide
SMILESCOc1ccc(C2(CNC(=O)C34CC5CC(CC(C5)C3)C4)CCOCC2)cc1
InChIInChI=1S/C24H33NO3/c1-27-21-4-2-20(3-5-21)23(6-8-28-9-7-23)16-25-22(26)24-13-17-10-18(14-24)12-19(11-17)15-24/h2-5,17-19H,6-16H2,1H3,(H,25,26)
InChIKeyQGKFJSJPYRAKEM-UHFFFAOYSA-N
XLogP4.08
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.53
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]adamantane-1-carboxamide?
The IUPAC name of N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]adamantane-1-carboxamide (CID 27448906) is N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]adamantane-1-carboxamide.
What is the SMILES notation for N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]adamantane-1-carboxamide?
The canonical SMILES for N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]adamantane-1-carboxamide is COc1ccc(C2(CNC(=O)C34CC5CC(CC(C5)C3)C4)CCOCC2)cc1.
What is the InChIKey of N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]adamantane-1-carboxamide?
The InChIKey is QGKFJSJPYRAKEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33NO3/c1-27-21-4-2-20(3-5-21)23(6-8-28-9-7-23)16-25-22(26)24-13-17-10-18(14-24)12-19(11-17)15-24/h2-5,17-19H,6-16H2,1H3,(H,25,26).
What are the key properties of N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]adamantane-1-carboxamide?
N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]adamantane-1-carboxamide has a molecular weight of 383.53 g/mol, XLogP of 4.08, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]adamantane-1-carboxamide is sourced from PubChem (CID 27448906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).