N-[2-(1-adamantyloxy)propyl]-2,2-diphenylacetamide

C27H33NO2 — CID 4916655

IUPACN-[2-(1-adamantyloxy)propyl]-2,2-diphenylacetamide
SMILESCC(CNC(=O)C(c1ccccc1)c1ccccc1)OC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C27H33NO2/c1-19(30-27-15-20-12-21(16-27)14-22(13-20)17-27)18-28-26(29)25(23-8-4-2-5-9-23)24-10-6-3-7-11-24/h2-11,19-22,25H,12-18H2,1H3,(H,28,29)
InChIKeyQQTSWTSOISODCW-UHFFFAOYSA-N
MW403.57 g/mol
LogP5.31
Rot. Bonds7

About N-[2-(1-adamantyloxy)propyl]-2,2-diphenylacetamide

N-[2-(1-adamantyloxy)propyl]-2,2-diphenylacetamide (PubChem CID 4916655) has the molecular formula C27H33NO2 and a molecular weight of 403.57 g/mol. Its IUPAC name is N-[2-(1-adamantyloxy)propyl]-2,2-diphenylacetamide.

Molecular Properties

Compound NameN-[2-(1-adamantyloxy)propyl]-2,2-diphenylacetamide
PubChem CID4916655
Molecular FormulaC27H33NO2
Molecular Weight403.57 g/mol
Exact Mass403.25
IUPAC NameN-[2-(1-adamantyloxy)propyl]-2,2-diphenylacetamide
SMILESCC(CNC(=O)C(c1ccccc1)c1ccccc1)OC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C27H33NO2/c1-19(30-27-15-20-12-21(16-27)14-22(13-20)17-27)18-28-26(29)25(23-8-4-2-5-9-23)24-10-6-3-7-11-24/h2-11,19-22,25H,12-18H2,1H3,(H,28,29)
InChIKeyQQTSWTSOISODCW-UHFFFAOYSA-N
XLogP5.31
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.57
LogP ≤ 55.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(1-adamantyl)ethyl]-2,2-diphenylacetamide
CID 23766189
N-[(2R)-2-(1-adamantyloxy)propyl]-4-methylbenzamide
CID 8990543
N-[(2S)-2-(1-adamantyloxy)propyl]-4-methylbenzamide
CID 8990544
N-[(2S)-2-(1-adamantyloxy)propyl]-2,3,4-trimethoxybenzamide
CID 7322140
N-[2-(methylamino)propyl]-2,2-diphenylacetamide
CID 120829016
N-[(2S)-2-(1-adamantyloxy)propyl]-4-(dimethylsulfamoyl)benzamide
CID 7319718
2,2-diphenyl-N-[(1R,8R)-3-tricyclo[4.3.1.13,8]undecanyl]acetamide
CID 98158809
1-adamantyl 2-phenylbutanoate
CID 101257147
(2R)-2-(1-adamantyl)-2-[(2,2-diphenylacetyl)amino]acetic acid
CID 7090694
N-[4-[[(2R)-2-(1-adamantyloxy)propyl]sulfamoyl]phenyl]acetamide
CID 7304987
N-[1-(1-adamantylamino)-1-oxopropan-2-yl]benzamide
CID 146122763
N-(2-amino-2-methylpropyl)-2,2-diphenylacetamide
CID 119628942

Frequently Asked Questions

What is the IUPAC name of N-[2-(1-adamantyloxy)propyl]-2,2-diphenylacetamide?
The IUPAC name of N-[2-(1-adamantyloxy)propyl]-2,2-diphenylacetamide (CID 4916655) is N-[2-(1-adamantyloxy)propyl]-2,2-diphenylacetamide.
What is the SMILES notation for N-[2-(1-adamantyloxy)propyl]-2,2-diphenylacetamide?
The canonical SMILES for N-[2-(1-adamantyloxy)propyl]-2,2-diphenylacetamide is CC(CNC(=O)C(c1ccccc1)c1ccccc1)OC12CC3CC(CC(C3)C1)C2.
What is the InChIKey of N-[2-(1-adamantyloxy)propyl]-2,2-diphenylacetamide?
The InChIKey is QQTSWTSOISODCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H33NO2/c1-19(30-27-15-20-12-21(16-27)14-22(13-20)17-27)18-28-26(29)25(23-8-4-2-5-9-23)24-10-6-3-7-11-24/h2-11,19-22,25H,12-18H2,1H3,(H,28,29).
What are the key properties of N-[2-(1-adamantyloxy)propyl]-2,2-diphenylacetamide?
N-[2-(1-adamantyloxy)propyl]-2,2-diphenylacetamide has a molecular weight of 403.57 g/mol, XLogP of 5.31, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-adamantyloxy)propyl]-2,2-diphenylacetamide is sourced from PubChem (CID 4916655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).