N-[4-(1-adamantyloxy)phenyl]-N-methyl-2-phenylacetamide

C25H29NO2 — CID 12510300

IUPACN-[4-(1-adamantyloxy)phenyl]-N-methyl-2-phenylacetamide
SMILESCN(C(=O)Cc1ccccc1)c1ccc(OC23CC4CC(CC(C4)C2)C3)cc1
InChIInChI=1S/C25H29NO2/c1-26(24(27)14-18-5-3-2-4-6-18)22-7-9-23(10-8-22)28-25-15-19-11-20(16-25)13-21(12-19)17-25/h2-10,19-21H,11-17H2,1H3
InChIKeyMMSKKHCOKREONE-UHFFFAOYSA-N
MW375.51 g/mol
LogP5.24
Rot. Bonds5

About N-[4-(1-adamantyloxy)phenyl]-N-methyl-2-phenylacetamide

N-[4-(1-adamantyloxy)phenyl]-N-methyl-2-phenylacetamide (PubChem CID 12510300) has the molecular formula C25H29NO2 and a molecular weight of 375.51 g/mol. Its IUPAC name is N-[4-(1-adamantyloxy)phenyl]-N-methyl-2-phenylacetamide.

Molecular Properties

Compound NameN-[4-(1-adamantyloxy)phenyl]-N-methyl-2-phenylacetamide
PubChem CID12510300
Molecular FormulaC25H29NO2
Molecular Weight375.51 g/mol
Exact Mass375.22
IUPAC NameN-[4-(1-adamantyloxy)phenyl]-N-methyl-2-phenylacetamide
SMILESCN(C(=O)Cc1ccccc1)c1ccc(OC23CC4CC(CC(C4)C2)C3)cc1
InChIInChI=1S/C25H29NO2/c1-26(24(27)14-18-5-3-2-4-6-18)22-7-9-23(10-8-22)28-25-15-19-11-20(16-25)13-21(12-19)17-25/h2-10,19-21H,11-17H2,1H3
InChIKeyMMSKKHCOKREONE-UHFFFAOYSA-N
XLogP5.24
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.51
LogP ≤ 55.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[4-(1-adamantyloxy)phenyl]-N-methyl-2-phenylacetamide?
The IUPAC name of N-[4-(1-adamantyloxy)phenyl]-N-methyl-2-phenylacetamide (CID 12510300) is N-[4-(1-adamantyloxy)phenyl]-N-methyl-2-phenylacetamide.
What is the SMILES notation for N-[4-(1-adamantyloxy)phenyl]-N-methyl-2-phenylacetamide?
The canonical SMILES for N-[4-(1-adamantyloxy)phenyl]-N-methyl-2-phenylacetamide is CN(C(=O)Cc1ccccc1)c1ccc(OC23CC4CC(CC(C4)C2)C3)cc1.
What is the InChIKey of N-[4-(1-adamantyloxy)phenyl]-N-methyl-2-phenylacetamide?
The InChIKey is MMSKKHCOKREONE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29NO2/c1-26(24(27)14-18-5-3-2-4-6-18)22-7-9-23(10-8-22)28-25-15-19-11-20(16-25)13-21(12-19)17-25/h2-10,19-21H,11-17H2,1H3.
What are the key properties of N-[4-(1-adamantyloxy)phenyl]-N-methyl-2-phenylacetamide?
N-[4-(1-adamantyloxy)phenyl]-N-methyl-2-phenylacetamide has a molecular weight of 375.51 g/mol, XLogP of 5.24, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1-adamantyloxy)phenyl]-N-methyl-2-phenylacetamide is sourced from PubChem (CID 12510300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).