N-(1-adamantyl)nonanamide

C19H33NO — CID 4685611

IUPACN-(1-adamantyl)nonanamide
SMILESCCCCCCCCC(=O)NC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C19H33NO/c1-2-3-4-5-6-7-8-18(21)20-19-12-15-9-16(13-19)11-17(10-15)14-19/h15-17H,2-14H2,1H3,(H,20,21)
InChIKeyCTZIRHJHOWPPGS-UHFFFAOYSA-N
MW291.48 g/mol
LogP4.82
Rot. Bonds8

About N-(1-adamantyl)nonanamide

N-(1-adamantyl)nonanamide (PubChem CID 4685611) has the molecular formula C19H33NO and a molecular weight of 291.48 g/mol. Its IUPAC name is N-(1-adamantyl)nonanamide.

Molecular Properties

Compound NameN-(1-adamantyl)nonanamide
PubChem CID4685611
Molecular FormulaC19H33NO
Molecular Weight291.48 g/mol
Exact Mass291.26
IUPAC NameN-(1-adamantyl)nonanamide
SMILESCCCCCCCCC(=O)NC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C19H33NO/c1-2-3-4-5-6-7-8-18(21)20-19-12-15-9-16(13-19)11-17(10-15)14-19/h15-17H,2-14H2,1H3,(H,20,21)
InChIKeyCTZIRHJHOWPPGS-UHFFFAOYSA-N
XLogP4.82
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.48
LogP ≤ 54.82
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)hexanamide
CID 4687392
N'-(1-adamantyl)-N-methylheptanediamide
CID 90206132
1-(1-adamantyl)-3-hexylurea
CID 102308549
N-(1-adamantyl)-4-(propan-2-ylamino)butanamide
CID 60851272
1-(1-adamantyl)heptan-1-one
CID 12572511
1-(1-adamantyl)hexadecan-1-one
CID 68814604
N-(1-adamantyl)-11-(3-hydroxy-5-pentylphenoxy)undecanamide
CID 118710965
N-(1-adamantyl)-3-(prop-2-enoylamino)dodecanamide
CID 102025434
N-(1-adamantyl)-3-bromopropanamide;hydrochloride
CID 19855241
N-(1-adamantyl)pentanethioamide
CID 132965928
N-(1-adamantyl)-3-(propan-2-ylamino)propanamide
CID 60852695
N-(1-adamantyl)-6-(5-methyl-2-oxoimidazolidin-4-yl)hexanamide
CID 5300977

Frequently Asked Questions

What is the IUPAC name of N-(1-adamantyl)nonanamide?
The IUPAC name of N-(1-adamantyl)nonanamide (CID 4685611) is N-(1-adamantyl)nonanamide.
What is the SMILES notation for N-(1-adamantyl)nonanamide?
The canonical SMILES for N-(1-adamantyl)nonanamide is CCCCCCCCC(=O)NC12CC3CC(CC(C3)C1)C2.
What is the InChIKey of N-(1-adamantyl)nonanamide?
The InChIKey is CTZIRHJHOWPPGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33NO/c1-2-3-4-5-6-7-8-18(21)20-19-12-15-9-16(13-19)11-17(10-15)14-19/h15-17H,2-14H2,1H3,(H,20,21).
What are the key properties of N-(1-adamantyl)nonanamide?
N-(1-adamantyl)nonanamide has a molecular weight of 291.48 g/mol, XLogP of 4.82, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-adamantyl)nonanamide is sourced from PubChem (CID 4685611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).