N-(1-adamantyl)-6-[(4S,5S)-5-methyl-2-oxoimidazolidin-4-yl]hexanamide

C20H33N3O2 — CID 7344299

IUPACN-(1-adamantyl)-6-[(4S,5S)-5-methyl-2-oxoimidazolidin-4-yl]hexanamide
SMILESC[C@@H]1NC(=O)N[C@H]1CCCCCC(=O)NC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C20H33N3O2/c1-13-17(22-19(25)21-13)5-3-2-4-6-18(24)23-20-10-14-7-15(11-20)9-16(8-14)12-20/h13-17H,2-12H2,1H3,(H,23,24)(H2,21,22,25)/t13-,14?,15?,16?,17-,20?/m0/s1
InChIKeyPQGBGPAZDOQDAZ-OYDALLEOSA-N
MW347.50 g/mol
LogP3.09
Rot. Bonds7

About N-(1-adamantyl)-6-[(4S,5S)-5-methyl-2-oxoimidazolidin-4-yl]hexanamide

N-(1-adamantyl)-6-[(4S,5S)-5-methyl-2-oxoimidazolidin-4-yl]hexanamide (PubChem CID 7344299) has the molecular formula C20H33N3O2 and a molecular weight of 347.50 g/mol. Its IUPAC name is N-(1-adamantyl)-6-[(4S,5S)-5-methyl-2-oxoimidazolidin-4-yl]hexanamide.

Molecular Properties

Compound NameN-(1-adamantyl)-6-[(4S,5S)-5-methyl-2-oxoimidazolidin-4-yl]hexanamide
PubChem CID7344299
Molecular FormulaC20H33N3O2
Molecular Weight347.50 g/mol
Exact Mass347.26
IUPAC NameN-(1-adamantyl)-6-[(4S,5S)-5-methyl-2-oxoimidazolidin-4-yl]hexanamide
SMILESC[C@@H]1NC(=O)N[C@H]1CCCCCC(=O)NC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C20H33N3O2/c1-13-17(22-19(25)21-13)5-3-2-4-6-18(24)23-20-10-14-7-15(11-20)9-16(8-14)12-20/h13-17H,2-12H2,1H3,(H,23,24)(H2,21,22,25)/t13-,14?,15?,16?,17-,20?/m0/s1
InChIKeyPQGBGPAZDOQDAZ-OYDALLEOSA-N
XLogP3.09
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.50
LogP ≤ 53.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(1-adamantyl)-6-[(4S,5S)-5-methyl-2-oxoimidazolidin-4-yl]hexanamide?
The IUPAC name of N-(1-adamantyl)-6-[(4S,5S)-5-methyl-2-oxoimidazolidin-4-yl]hexanamide (CID 7344299) is N-(1-adamantyl)-6-[(4S,5S)-5-methyl-2-oxoimidazolidin-4-yl]hexanamide.
What is the SMILES notation for N-(1-adamantyl)-6-[(4S,5S)-5-methyl-2-oxoimidazolidin-4-yl]hexanamide?
The canonical SMILES for N-(1-adamantyl)-6-[(4S,5S)-5-methyl-2-oxoimidazolidin-4-yl]hexanamide is C[C@@H]1NC(=O)N[C@H]1CCCCCC(=O)NC12CC3CC(CC(C3)C1)C2.
What is the InChIKey of N-(1-adamantyl)-6-[(4S,5S)-5-methyl-2-oxoimidazolidin-4-yl]hexanamide?
The InChIKey is PQGBGPAZDOQDAZ-OYDALLEOSA-N. The full InChI is InChI=1S/C20H33N3O2/c1-13-17(22-19(25)21-13)5-3-2-4-6-18(24)23-20-10-14-7-15(11-20)9-16(8-14)12-20/h13-17H,2-12H2,1H3,(H,23,24)(H2,21,22,25)/t13-,14?,15?,16?,17-,20?/m0/s1.
What are the key properties of N-(1-adamantyl)-6-[(4S,5S)-5-methyl-2-oxoimidazolidin-4-yl]hexanamide?
N-(1-adamantyl)-6-[(4S,5S)-5-methyl-2-oxoimidazolidin-4-yl]hexanamide has a molecular weight of 347.50 g/mol, XLogP of 3.09, 7 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-adamantyl)-6-[(4S,5S)-5-methyl-2-oxoimidazolidin-4-yl]hexanamide is sourced from PubChem (CID 7344299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).