N-(1-adamantyl)-2-[3-(2-methylpropyl)phenyl]acetamide

C22H31NO — CID 70948173

IUPACN-(1-adamantyl)-2-[3-(2-methylpropyl)phenyl]acetamide
SMILESCC(C)Cc1cccc(CC(=O)NC23CC4CC(CC(C4)C2)C3)c1
InChIInChI=1S/C22H31NO/c1-15(2)6-16-4-3-5-17(7-16)11-21(24)23-22-12-18-8-19(13-22)10-20(9-18)14-22/h3-5,7,15,18-20H,6,8-14H2,1-2H3,(H,23,24)
InChIKeyHIPROHNEQLAJJO-UHFFFAOYSA-N
MW325.50 g/mol
LogP4.51
Rot. Bonds5

About N-(1-adamantyl)-2-[3-(2-methylpropyl)phenyl]acetamide

N-(1-adamantyl)-2-[3-(2-methylpropyl)phenyl]acetamide (PubChem CID 70948173) has the molecular formula C22H31NO and a molecular weight of 325.50 g/mol. Its IUPAC name is N-(1-adamantyl)-2-[3-(2-methylpropyl)phenyl]acetamide.

Molecular Properties

Compound NameN-(1-adamantyl)-2-[3-(2-methylpropyl)phenyl]acetamide
PubChem CID70948173
Molecular FormulaC22H31NO
Molecular Weight325.50 g/mol
Exact Mass325.24
IUPAC NameN-(1-adamantyl)-2-[3-(2-methylpropyl)phenyl]acetamide
SMILESCC(C)Cc1cccc(CC(=O)NC23CC4CC(CC(C4)C2)C3)c1
InChIInChI=1S/C22H31NO/c1-15(2)6-16-4-3-5-17(7-16)11-21(24)23-22-12-18-8-19(13-22)10-20(9-18)14-22/h3-5,7,15,18-20H,6,8-14H2,1-2H3,(H,23,24)
InChIKeyHIPROHNEQLAJJO-UHFFFAOYSA-N
XLogP4.51
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.50
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-(1-adamantyl)-2-[3-(2-methylpropyl)phenyl]acetamide?
The IUPAC name of N-(1-adamantyl)-2-[3-(2-methylpropyl)phenyl]acetamide (CID 70948173) is N-(1-adamantyl)-2-[3-(2-methylpropyl)phenyl]acetamide.
What is the SMILES notation for N-(1-adamantyl)-2-[3-(2-methylpropyl)phenyl]acetamide?
The canonical SMILES for N-(1-adamantyl)-2-[3-(2-methylpropyl)phenyl]acetamide is CC(C)Cc1cccc(CC(=O)NC23CC4CC(CC(C4)C2)C3)c1.
What is the InChIKey of N-(1-adamantyl)-2-[3-(2-methylpropyl)phenyl]acetamide?
The InChIKey is HIPROHNEQLAJJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31NO/c1-15(2)6-16-4-3-5-17(7-16)11-21(24)23-22-12-18-8-19(13-22)10-20(9-18)14-22/h3-5,7,15,18-20H,6,8-14H2,1-2H3,(H,23,24).
What are the key properties of N-(1-adamantyl)-2-[3-(2-methylpropyl)phenyl]acetamide?
N-(1-adamantyl)-2-[3-(2-methylpropyl)phenyl]acetamide has a molecular weight of 325.50 g/mol, XLogP of 4.51, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-adamantyl)-2-[3-(2-methylpropyl)phenyl]acetamide is sourced from PubChem (CID 70948173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).