N-(1-adamantyl)hexanamide

C16H27NO — CID 4687392

IUPACN-(1-adamantyl)hexanamide
SMILESCCCCCC(=O)NC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C16H27NO/c1-2-3-4-5-15(18)17-16-9-12-6-13(10-16)8-14(7-12)11-16/h12-14H,2-11H2,1H3,(H,17,18)
InChIKeyHGZQESFPULRPRF-UHFFFAOYSA-N
MW249.40 g/mol
LogP3.65
Rot. Bonds5

About N-(1-adamantyl)hexanamide

N-(1-adamantyl)hexanamide (PubChem CID 4687392) has the molecular formula C16H27NO and a molecular weight of 249.40 g/mol. Its IUPAC name is N-(1-adamantyl)hexanamide.

Molecular Properties

Compound NameN-(1-adamantyl)hexanamide
PubChem CID4687392
Molecular FormulaC16H27NO
Molecular Weight249.40 g/mol
Exact Mass249.21
IUPAC NameN-(1-adamantyl)hexanamide
SMILESCCCCCC(=O)NC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C16H27NO/c1-2-3-4-5-15(18)17-16-9-12-6-13(10-16)8-14(7-12)11-16/h12-14H,2-11H2,1H3,(H,17,18)
InChIKeyHGZQESFPULRPRF-UHFFFAOYSA-N
XLogP3.65
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.40
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-(1-adamantyl)nonanamide
CID 4685611
N'-(1-adamantyl)-N-methylheptanediamide
CID 90206132
N-(1-adamantyl)-4-(propan-2-ylamino)butanamide
CID 60851272
1-(1-adamantyl)-3-hexylurea
CID 102308549
N-(1-adamantyl)-3-bromopropanamide;hydrochloride
CID 19855241
N-(1-adamantyl)pentanethioamide
CID 132965928
N-(1-adamantyl)-11-(3-hydroxy-5-pentylphenoxy)undecanamide
CID 118710965
N-(1-adamantyl)-3-(propan-2-ylamino)propanamide
CID 60852695
1-(1-adamantyl)heptan-1-one
CID 12572511
1-(1-adamantyl)hexadecan-1-one
CID 68814604
N-(1-adamantyl)-3-(prop-2-enoylamino)dodecanamide
CID 102025434
ethyl N-[3-(1-adamantylamino)-3-oxopropyl]carbamate
CID 38404709

Frequently Asked Questions

What is the IUPAC name of N-(1-adamantyl)hexanamide?
The IUPAC name of N-(1-adamantyl)hexanamide (CID 4687392) is N-(1-adamantyl)hexanamide.
What is the SMILES notation for N-(1-adamantyl)hexanamide?
The canonical SMILES for N-(1-adamantyl)hexanamide is CCCCCC(=O)NC12CC3CC(CC(C3)C1)C2.
What is the InChIKey of N-(1-adamantyl)hexanamide?
The InChIKey is HGZQESFPULRPRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO/c1-2-3-4-5-15(18)17-16-9-12-6-13(10-16)8-14(7-12)11-16/h12-14H,2-11H2,1H3,(H,17,18).
What are the key properties of N-(1-adamantyl)hexanamide?
N-(1-adamantyl)hexanamide has a molecular weight of 249.40 g/mol, XLogP of 3.65, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-adamantyl)hexanamide is sourced from PubChem (CID 4687392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).