2-(1-adamantyl)-N-(2,3,4,5,6-pentahydroxyhexylideneamino)acetamide

C18H30N2O6 — CID 5158678

IUPAC2-(1-adamantyl)-N-(2,3,4,5,6-pentahydroxyhexylideneamino)acetamide
SMILESO=C(CC12CC3CC(CC(C3)C1)C2)NN=CC(O)C(O)C(O)C(O)CO
InChIInChI=1S/C18H30N2O6/c21-9-14(23)17(26)16(25)13(22)8-19-20-15(24)7-18-4-10-1-11(5-18)3-12(2-10)6-18/h8,10-14,16-17,21-23,25-26H,1-7,9H2,(H,20,24)
InChIKeyVIAFSBBLPXJDNB-UHFFFAOYSA-N
MW370.45 g/mol
LogP-0.87
Rot. Bonds8

About 2-(1-adamantyl)-N-(2,3,4,5,6-pentahydroxyhexylideneamino)acetamide

2-(1-adamantyl)-N-(2,3,4,5,6-pentahydroxyhexylideneamino)acetamide (PubChem CID 5158678) has the molecular formula C18H30N2O6 and a molecular weight of 370.45 g/mol. Its IUPAC name is 2-(1-adamantyl)-N-(2,3,4,5,6-pentahydroxyhexylideneamino)acetamide.

Molecular Properties

Compound Name2-(1-adamantyl)-N-(2,3,4,5,6-pentahydroxyhexylideneamino)acetamide
PubChem CID5158678
Molecular FormulaC18H30N2O6
Molecular Weight370.45 g/mol
Exact Mass370.21
IUPAC Name2-(1-adamantyl)-N-(2,3,4,5,6-pentahydroxyhexylideneamino)acetamide
SMILESO=C(CC12CC3CC(CC(C3)C1)C2)NN=CC(O)C(O)C(O)C(O)CO
InChIInChI=1S/C18H30N2O6/c21-9-14(23)17(26)16(25)13(22)8-19-20-15(24)7-18-4-10-1-11(5-18)3-12(2-10)6-18/h8,10-14,16-17,21-23,25-26H,1-7,9H2,(H,20,24)
InChIKeyVIAFSBBLPXJDNB-UHFFFAOYSA-N
XLogP-0.87
TPSA142.61 Ų
H-Bond Donors6
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.45
LogP ≤ 5-0.87
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

trimethyl-[2-oxo-2-[2-[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexylidene]hydrazinyl]ethyl]azanium chloride
CID 131884104
2-(1-adamantyl)-N-[(2R)-1-hydroxypropan-2-yl]acetamide
CID 79030779
2-(1-adamantyl)-N-[(Z)-(2-methyl-1,3-thiazol-4-yl)methylideneamino]acetamide
CID 9122743
2-(1-adamantyl)-N-[(E)-(3,4-dihydroxyphenyl)methylideneamino]acetamide
CID 135816259
2-(1-adamantyl)-N-oxidoacetamide
CID 2050150
1-[2-oxo-2-(sulfinoamino)ethyl]adamantane
CID 123564830
2-(1-adamantyl)-N-[(1R)-1-(1-adamantyl)ethyl]acetamide
CID 7322047
2-(1-adamantyl)-N-[(Z)-(2,4,5-trimethoxyphenyl)methylideneamino]acetamide
CID 9122763
N,2-bis(1-adamantyl)acetamide
CID 3906383
2-(1-adamantyl)-N-[(E)-[4-(diethylamino)phenyl]methylideneamino]acetamide
CID 6006199
2-(1-adamantyl)-N-(4-aminophenyl)acetamide
CID 79987888
2-(1-adamantyl)-N-cyanoacetamide
CID 79194231

Frequently Asked Questions

What is the IUPAC name of 2-(1-adamantyl)-N-(2,3,4,5,6-pentahydroxyhexylideneamino)acetamide?
The IUPAC name of 2-(1-adamantyl)-N-(2,3,4,5,6-pentahydroxyhexylideneamino)acetamide (CID 5158678) is 2-(1-adamantyl)-N-(2,3,4,5,6-pentahydroxyhexylideneamino)acetamide.
What is the SMILES notation for 2-(1-adamantyl)-N-(2,3,4,5,6-pentahydroxyhexylideneamino)acetamide?
The canonical SMILES for 2-(1-adamantyl)-N-(2,3,4,5,6-pentahydroxyhexylideneamino)acetamide is O=C(CC12CC3CC(CC(C3)C1)C2)NN=CC(O)C(O)C(O)C(O)CO.
What is the InChIKey of 2-(1-adamantyl)-N-(2,3,4,5,6-pentahydroxyhexylideneamino)acetamide?
The InChIKey is VIAFSBBLPXJDNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O6/c21-9-14(23)17(26)16(25)13(22)8-19-20-15(24)7-18-4-10-1-11(5-18)3-12(2-10)6-18/h8,10-14,16-17,21-23,25-26H,1-7,9H2,(H,20,24).
What are the key properties of 2-(1-adamantyl)-N-(2,3,4,5,6-pentahydroxyhexylideneamino)acetamide?
2-(1-adamantyl)-N-(2,3,4,5,6-pentahydroxyhexylideneamino)acetamide has a molecular weight of 370.45 g/mol, XLogP of -0.87, 8 rotatable bonds, 6 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-adamantyl)-N-(2,3,4,5,6-pentahydroxyhexylideneamino)acetamide is sourced from PubChem (CID 5158678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).