2,2-diphenyl-N-[(1R,8R)-3-tricyclo[4.3.1.13,8]undecanyl]acetamide

C25H29NO — CID 98158809

IUPAC2,2-diphenyl-N-[(1R,8R)-3-tricyclo[4.3.1.13,8]undecanyl]acetamide
SMILESO=C(NC12CCC3C[C@H](C[C@@H](C3)C1)C2)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C25H29NO/c27-24(23(21-7-3-1-4-8-21)22-9-5-2-6-10-22)26-25-12-11-18-13-19(16-25)15-20(14-18)17-25/h1-10,18-20,23H,11-17H2,(H,26,27)/t18?,19-,20-,25?/m1/s1
InChIKeyCRBOISRBMOGBOA-PRFRBYCISA-N
MW359.51 g/mol
LogP5.29
Rot. Bonds4

About 2,2-diphenyl-N-[(1R,8R)-3-tricyclo[4.3.1.13,8]undecanyl]acetamide

2,2-diphenyl-N-[(1R,8R)-3-tricyclo[4.3.1.13,8]undecanyl]acetamide (PubChem CID 98158809) has the molecular formula C25H29NO and a molecular weight of 359.51 g/mol. Its IUPAC name is 2,2-diphenyl-N-[(1R,8R)-3-tricyclo[4.3.1.13,8]undecanyl]acetamide.

Molecular Properties

Compound Name2,2-diphenyl-N-[(1R,8R)-3-tricyclo[4.3.1.13,8]undecanyl]acetamide
PubChem CID98158809
Molecular FormulaC25H29NO
Molecular Weight359.51 g/mol
Exact Mass359.22
IUPAC Name2,2-diphenyl-N-[(1R,8R)-3-tricyclo[4.3.1.13,8]undecanyl]acetamide
SMILESO=C(NC12CCC3C[C@H](C[C@@H](C3)C1)C2)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C25H29NO/c27-24(23(21-7-3-1-4-8-21)22-9-5-2-6-10-22)26-25-12-11-18-13-19(16-25)15-20(14-18)17-25/h1-10,18-20,23H,11-17H2,(H,26,27)/t18?,19-,20-,25?/m1/s1
InChIKeyCRBOISRBMOGBOA-PRFRBYCISA-N
XLogP5.29
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500359.51
LogP ≤ 55.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(2R)-2-(1-adamantyl)-2-[(2,2-diphenylacetyl)amino]acetic acid
CID 7090694
N-[2-(1-adamantyl)ethyl]-2,2-diphenylacetamide
CID 23766189
N-[2-(1-adamantyloxy)propyl]-2,2-diphenylacetamide
CID 4916655
N-(1-adamantyl)-2-(benzhydrylamino)acetamide
CID 7971178
[2-(1-adamantylamino)-2-oxoethyl]-benzhydrylazanium
CID 7971177
N-[1-(1-adamantylamino)-1-oxopropan-2-yl]benzamide
CID 146122763
(2S)-N-(1-adamantylcarbamoyl)-2-[[(1R)-1-phenylethyl]amino]propanamide
CID 9345957
(2R)-N-(1-adamantylcarbamoyl)-2-[[(1S)-1-phenylethyl]amino]propanamide
CID 9345960
(2S)-N-(1-adamantyl)-2-[[(R)-furan-2-yl(phenyl)methyl]amino]propanamide
CID 8755398
(2R)-N-(1-adamantyl)-2-phenoxybutanamide
CID 40584781
(2S)-N-(1-adamantyl)-2-phenoxybutanamide
CID 40579727
[1-(1-adamantylamino)-1-oxopropan-2-yl] 2-phenylacetate
CID 42902130

Frequently Asked Questions

What is the IUPAC name of 2,2-diphenyl-N-[(1R,8R)-3-tricyclo[4.3.1.13,8]undecanyl]acetamide?
The IUPAC name of 2,2-diphenyl-N-[(1R,8R)-3-tricyclo[4.3.1.13,8]undecanyl]acetamide (CID 98158809) is 2,2-diphenyl-N-[(1R,8R)-3-tricyclo[4.3.1.13,8]undecanyl]acetamide.
What is the SMILES notation for 2,2-diphenyl-N-[(1R,8R)-3-tricyclo[4.3.1.13,8]undecanyl]acetamide?
The canonical SMILES for 2,2-diphenyl-N-[(1R,8R)-3-tricyclo[4.3.1.13,8]undecanyl]acetamide is O=C(NC12CCC3C[C@H](C[C@@H](C3)C1)C2)C(c1ccccc1)c1ccccc1.
What is the InChIKey of 2,2-diphenyl-N-[(1R,8R)-3-tricyclo[4.3.1.13,8]undecanyl]acetamide?
The InChIKey is CRBOISRBMOGBOA-PRFRBYCISA-N. The full InChI is InChI=1S/C25H29NO/c27-24(23(21-7-3-1-4-8-21)22-9-5-2-6-10-22)26-25-12-11-18-13-19(16-25)15-20(14-18)17-25/h1-10,18-20,23H,11-17H2,(H,26,27)/t18?,19-,20-,25?/m1/s1.
What are the key properties of 2,2-diphenyl-N-[(1R,8R)-3-tricyclo[4.3.1.13,8]undecanyl]acetamide?
2,2-diphenyl-N-[(1R,8R)-3-tricyclo[4.3.1.13,8]undecanyl]acetamide has a molecular weight of 359.51 g/mol, XLogP of 5.29, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-diphenyl-N-[(1R,8R)-3-tricyclo[4.3.1.13,8]undecanyl]acetamide is sourced from PubChem (CID 98158809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).