N-(1-adamantyl)-6-(5-methyl-2-oxoimidazolidin-4-yl)hexanamide

C20H33N3O2 — CID 5300977

IUPACN-(1-adamantyl)-6-(5-methyl-2-oxoimidazolidin-4-yl)hexanamide
SMILESCC1NC(=O)NC1CCCCCC(=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)
InChIKeyPQGBGPAZDOQDAZ-UHFFFAOYSA-N
MW347.50 g/mol
LogP3.09
Rot. Bonds7

About N-(1-adamantyl)-6-(5-methyl-2-oxoimidazolidin-4-yl)hexanamide

N-(1-adamantyl)-6-(5-methyl-2-oxoimidazolidin-4-yl)hexanamide (PubChem CID 5300977) has the molecular formula C20H33N3O2 and a molecular weight of 347.50 g/mol. Its IUPAC name is N-(1-adamantyl)-6-(5-methyl-2-oxoimidazolidin-4-yl)hexanamide.

Molecular Properties

Compound NameN-(1-adamantyl)-6-(5-methyl-2-oxoimidazolidin-4-yl)hexanamide
PubChem CID5300977
Molecular FormulaC20H33N3O2
Molecular Weight347.50 g/mol
Exact Mass347.26
IUPAC NameN-(1-adamantyl)-6-(5-methyl-2-oxoimidazolidin-4-yl)hexanamide
SMILESCC1NC(=O)NC1CCCCCC(=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)
InChIKeyPQGBGPAZDOQDAZ-UHFFFAOYSA-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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Related Compounds

N-(1-adamantyl)-6-[(4S,5S)-5-methyl-2-oxoimidazolidin-4-yl]hexanamide
CID 7344299
N'-(1-adamantyl)-N-methylheptanediamide
CID 90206132
N-(1-adamantyl)nonanamide
CID 4685611
5-[(4S,5S)-5-methyl-2-oxoimidazolidin-4-yl]pentanoic acid
CID 2054868
N-(3,5-dimethylphenyl)-6-(5-methyl-2-oxoimidazolidin-4-yl)hexanamide
CID 5305481
N-(1-adamantyl)hexanamide
CID 4687392
6-[(4R,5S)-5-methyl-2-oxoimidazolidin-4-yl]-N-(4-methylphenyl)hexanamide
CID 2226567
N-hex-4-ynyl-6-[(4R,5S)-5-methyl-2-oxoimidazolidin-4-yl]hexanamide
CID 131983512
4-methyl-5-(18-methyl-6-oxononadecyl)imidazolidin-2-one
CID 167640123
CID 73212702
CID 73212702
4-hexyl-5-methylimidazolidin-2-one
CID 85446060
N-(1-adamantyl)-4-(propan-2-ylamino)butanamide
CID 60851272

Frequently Asked Questions

What is the IUPAC name of N-(1-adamantyl)-6-(5-methyl-2-oxoimidazolidin-4-yl)hexanamide?
The IUPAC name of N-(1-adamantyl)-6-(5-methyl-2-oxoimidazolidin-4-yl)hexanamide (CID 5300977) is N-(1-adamantyl)-6-(5-methyl-2-oxoimidazolidin-4-yl)hexanamide.
What is the SMILES notation for N-(1-adamantyl)-6-(5-methyl-2-oxoimidazolidin-4-yl)hexanamide?
The canonical SMILES for N-(1-adamantyl)-6-(5-methyl-2-oxoimidazolidin-4-yl)hexanamide is CC1NC(=O)NC1CCCCCC(=O)NC12CC3CC(CC(C3)C1)C2.
What is the InChIKey of N-(1-adamantyl)-6-(5-methyl-2-oxoimidazolidin-4-yl)hexanamide?
The InChIKey is PQGBGPAZDOQDAZ-UHFFFAOYSA-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).
What are the key properties of N-(1-adamantyl)-6-(5-methyl-2-oxoimidazolidin-4-yl)hexanamide?
N-(1-adamantyl)-6-(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-(5-methyl-2-oxoimidazolidin-4-yl)hexanamide is sourced from PubChem (CID 5300977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).