2-(1-adamantylamino)-N-butylacetamide

C16H28N2O — CID 60671078

IUPAC2-(1-adamantylamino)-N-butylacetamide
SMILESCCCCNC(=O)CNC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C16H28N2O/c1-2-3-4-17-15(19)11-18-16-8-12-5-13(9-16)7-14(6-12)10-16/h12-14,18H,2-11H2,1H3,(H,17,19)
InChIKeyQTBOCIDJZUBKOJ-UHFFFAOYSA-N
MW264.41 g/mol
LogP2.46
Rot. Bonds6

About 2-(1-adamantylamino)-N-butylacetamide

2-(1-adamantylamino)-N-butylacetamide (PubChem CID 60671078) has the molecular formula C16H28N2O and a molecular weight of 264.41 g/mol. Its IUPAC name is 2-(1-adamantylamino)-N-butylacetamide.

Molecular Properties

Compound Name2-(1-adamantylamino)-N-butylacetamide
PubChem CID60671078
Molecular FormulaC16H28N2O
Molecular Weight264.41 g/mol
Exact Mass264.22
IUPAC Name2-(1-adamantylamino)-N-butylacetamide
SMILESCCCCNC(=O)CNC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C16H28N2O/c1-2-3-4-17-15(19)11-18-16-8-12-5-13(9-16)7-14(6-12)10-16/h12-14,18H,2-11H2,1H3,(H,17,19)
InChIKeyQTBOCIDJZUBKOJ-UHFFFAOYSA-N
XLogP2.46
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.41
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(1-adamantylamino)-N-(cyclopropylmethyl)acetamide
CID 28567439
1-(1-adamantyl)-3-butylthiourea
CID 2828011
CID 140659618
CID 140659618
1-(1-adamantyl)-3-hexylurea
CID 102308549
N-(1-adamantyl)hexanamide
CID 4687392
N-(1-adamantyl)nonanamide
CID 4685611
N-butyl-2-(cyclopropylamino)acetamide
CID 54773122
1-[(1S)-1-(1-adamantyl)ethyl]-3-butylurea
CID 7068856
1-(1-adamantyl)-2-(1-adamantylamino)ethanone
CID 3292373
N'-[1-(1-adamantyl)ethyl]-N-butyloxamide
CID 108505075
N-butyl-2-[(3,3-dimethylcyclopentyl)amino]acetamide
CID 114545867
N'-(1-adamantyl)-N-(3-aminopropyl)propanediamide
CID 170692231

Frequently Asked Questions

What is the IUPAC name of 2-(1-adamantylamino)-N-butylacetamide?
The IUPAC name of 2-(1-adamantylamino)-N-butylacetamide (CID 60671078) is 2-(1-adamantylamino)-N-butylacetamide.
What is the SMILES notation for 2-(1-adamantylamino)-N-butylacetamide?
The canonical SMILES for 2-(1-adamantylamino)-N-butylacetamide is CCCCNC(=O)CNC12CC3CC(CC(C3)C1)C2.
What is the InChIKey of 2-(1-adamantylamino)-N-butylacetamide?
The InChIKey is QTBOCIDJZUBKOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O/c1-2-3-4-17-15(19)11-18-16-8-12-5-13(9-16)7-14(6-12)10-16/h12-14,18H,2-11H2,1H3,(H,17,19).
What are the key properties of 2-(1-adamantylamino)-N-butylacetamide?
2-(1-adamantylamino)-N-butylacetamide has a molecular weight of 264.41 g/mol, XLogP of 2.46, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-adamantylamino)-N-butylacetamide is sourced from PubChem (CID 60671078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).