N-[(1R,3R,5R,7R)-5-acetamido-2,2,6,6-tetramethyl-1-adamantyl]acetamide

C18H30N2O2 — CID 10518759

IUPACN-[(1R,3R,5R,7R)-5-acetamido-2,2,6,6-tetramethyl-1-adamantyl]acetamide
SMILESCC(=O)N[C@]12C[C@H]3C[C@H](C[C@@](NC(C)=O)(C1)C3(C)C)C2(C)C
InChIInChI=1S/C18H30N2O2/c1-11(21)19-17-8-13-7-14(15(17,3)4)9-18(10-17,16(13,5)6)20-12(2)22/h13-14H,7-10H2,1-6H3,(H,19,21)(H,20,22)/t13-,14-,17-,18-/m1/s1
InChIKeyCYKXAPHWEMUTJL-DTTOXWODSA-N
MW306.45 g/mol
LogP2.62
Rot. Bonds2

About N-[(1R,3R,5R,7R)-5-acetamido-2,2,6,6-tetramethyl-1-adamantyl]acetamide

N-[(1R,3R,5R,7R)-5-acetamido-2,2,6,6-tetramethyl-1-adamantyl]acetamide (PubChem CID 10518759) has the molecular formula C18H30N2O2 and a molecular weight of 306.45 g/mol. Its IUPAC name is N-[(1R,3R,5R,7R)-5-acetamido-2,2,6,6-tetramethyl-1-adamantyl]acetamide.

Molecular Properties

Compound NameN-[(1R,3R,5R,7R)-5-acetamido-2,2,6,6-tetramethyl-1-adamantyl]acetamide
PubChem CID10518759
Molecular FormulaC18H30N2O2
Molecular Weight306.45 g/mol
Exact Mass306.23
IUPAC NameN-[(1R,3R,5R,7R)-5-acetamido-2,2,6,6-tetramethyl-1-adamantyl]acetamide
SMILESCC(=O)N[C@]12C[C@H]3C[C@H](C[C@@](NC(C)=O)(C1)C3(C)C)C2(C)C
InChIInChI=1S/C18H30N2O2/c1-11(21)19-17-8-13-7-14(15(17,3)4)9-18(10-17,16(13,5)6)20-12(2)22/h13-14H,7-10H2,1-6H3,(H,19,21)(H,20,22)/t13-,14-,17-,18-/m1/s1
InChIKeyCYKXAPHWEMUTJL-DTTOXWODSA-N
XLogP2.62
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.45
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(1R,3R,5R,7R)-5-acetamido-2,2,6,6-tetramethyl-1-adamantyl]acetamide?
The IUPAC name of N-[(1R,3R,5R,7R)-5-acetamido-2,2,6,6-tetramethyl-1-adamantyl]acetamide (CID 10518759) is N-[(1R,3R,5R,7R)-5-acetamido-2,2,6,6-tetramethyl-1-adamantyl]acetamide.
What is the SMILES notation for N-[(1R,3R,5R,7R)-5-acetamido-2,2,6,6-tetramethyl-1-adamantyl]acetamide?
The canonical SMILES for N-[(1R,3R,5R,7R)-5-acetamido-2,2,6,6-tetramethyl-1-adamantyl]acetamide is CC(=O)N[C@]12C[C@H]3C[C@H](C[C@@](NC(C)=O)(C1)C3(C)C)C2(C)C.
What is the InChIKey of N-[(1R,3R,5R,7R)-5-acetamido-2,2,6,6-tetramethyl-1-adamantyl]acetamide?
The InChIKey is CYKXAPHWEMUTJL-DTTOXWODSA-N. The full InChI is InChI=1S/C18H30N2O2/c1-11(21)19-17-8-13-7-14(15(17,3)4)9-18(10-17,16(13,5)6)20-12(2)22/h13-14H,7-10H2,1-6H3,(H,19,21)(H,20,22)/t13-,14-,17-,18-/m1/s1.
What are the key properties of N-[(1R,3R,5R,7R)-5-acetamido-2,2,6,6-tetramethyl-1-adamantyl]acetamide?
N-[(1R,3R,5R,7R)-5-acetamido-2,2,6,6-tetramethyl-1-adamantyl]acetamide has a molecular weight of 306.45 g/mol, XLogP of 2.62, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,3R,5R,7R)-5-acetamido-2,2,6,6-tetramethyl-1-adamantyl]acetamide is sourced from PubChem (CID 10518759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).