N-[1-(4-propan-2-ylphenoxy)propan-2-yl]adamantane-1-carboxamide

C23H33NO2 — CID 2892899

IUPACN-[1-(4-propan-2-ylphenoxy)propan-2-yl]adamantane-1-carboxamide
SMILESCC(COc1ccc(C(C)C)cc1)NC(=O)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C23H33NO2/c1-15(2)20-4-6-21(7-5-20)26-14-16(3)24-22(25)23-11-17-8-18(12-23)10-19(9-17)13-23/h4-7,15-19H,8-14H2,1-3H3,(H,24,25)
InChIKeyOFDQSJYJLALSON-UHFFFAOYSA-N
MW355.52 g/mol
LogP4.91
Rot. Bonds6

About N-[1-(4-propan-2-ylphenoxy)propan-2-yl]adamantane-1-carboxamide

N-[1-(4-propan-2-ylphenoxy)propan-2-yl]adamantane-1-carboxamide (PubChem CID 2892899) has the molecular formula C23H33NO2 and a molecular weight of 355.52 g/mol. Its IUPAC name is N-[1-(4-propan-2-ylphenoxy)propan-2-yl]adamantane-1-carboxamide.

Molecular Properties

Compound NameN-[1-(4-propan-2-ylphenoxy)propan-2-yl]adamantane-1-carboxamide
PubChem CID2892899
Molecular FormulaC23H33NO2
Molecular Weight355.52 g/mol
Exact Mass355.25
IUPAC NameN-[1-(4-propan-2-ylphenoxy)propan-2-yl]adamantane-1-carboxamide
SMILESCC(COc1ccc(C(C)C)cc1)NC(=O)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C23H33NO2/c1-15(2)20-4-6-21(7-5-20)26-14-16(3)24-22(25)23-11-17-8-18(12-23)10-19(9-17)13-23/h4-7,15-19H,8-14H2,1-3H3,(H,24,25)
InChIKeyOFDQSJYJLALSON-UHFFFAOYSA-N
XLogP4.91
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.52
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[1-(4-propan-2-ylphenoxy)propan-2-yl]adamantane-1-carboxamide?
The IUPAC name of N-[1-(4-propan-2-ylphenoxy)propan-2-yl]adamantane-1-carboxamide (CID 2892899) is N-[1-(4-propan-2-ylphenoxy)propan-2-yl]adamantane-1-carboxamide.
What is the SMILES notation for N-[1-(4-propan-2-ylphenoxy)propan-2-yl]adamantane-1-carboxamide?
The canonical SMILES for N-[1-(4-propan-2-ylphenoxy)propan-2-yl]adamantane-1-carboxamide is CC(COc1ccc(C(C)C)cc1)NC(=O)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of N-[1-(4-propan-2-ylphenoxy)propan-2-yl]adamantane-1-carboxamide?
The InChIKey is OFDQSJYJLALSON-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33NO2/c1-15(2)20-4-6-21(7-5-20)26-14-16(3)24-22(25)23-11-17-8-18(12-23)10-19(9-17)13-23/h4-7,15-19H,8-14H2,1-3H3,(H,24,25).
What are the key properties of N-[1-(4-propan-2-ylphenoxy)propan-2-yl]adamantane-1-carboxamide?
N-[1-(4-propan-2-ylphenoxy)propan-2-yl]adamantane-1-carboxamide has a molecular weight of 355.52 g/mol, XLogP of 4.91, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-propan-2-ylphenoxy)propan-2-yl]adamantane-1-carboxamide is sourced from PubChem (CID 2892899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).