2-(1-adamantyl)-N-(4-iodobutyl)acetamide

C16H26INO — CID 106846218

IUPAC2-(1-adamantyl)-N-(4-iodobutyl)acetamide
SMILESO=C(CC12CC3CC(CC(C3)C1)C2)NCCCCI
InChIInChI=1S/C16H26INO/c17-3-1-2-4-18-15(19)11-16-8-12-5-13(9-16)7-14(6-12)10-16/h12-14H,1-11H2,(H,18,19)
InChIKeyQEAFMOQHFJLIDM-UHFFFAOYSA-N
MW375.29 g/mol
LogP3.92
Rot. Bonds6

About 2-(1-adamantyl)-N-(4-iodobutyl)acetamide

2-(1-adamantyl)-N-(4-iodobutyl)acetamide (PubChem CID 106846218) has the molecular formula C16H26INO and a molecular weight of 375.29 g/mol. Its IUPAC name is 2-(1-adamantyl)-N-(4-iodobutyl)acetamide.

Molecular Properties

Compound Name2-(1-adamantyl)-N-(4-iodobutyl)acetamide
PubChem CID106846218
Molecular FormulaC16H26INO
Molecular Weight375.29 g/mol
Exact Mass375.11
IUPAC Name2-(1-adamantyl)-N-(4-iodobutyl)acetamide
SMILESO=C(CC12CC3CC(CC(C3)C1)C2)NCCCCI
InChIInChI=1S/C16H26INO/c17-3-1-2-4-18-15(19)11-16-8-12-5-13(9-16)7-14(6-12)10-16/h12-14H,1-11H2,(H,18,19)
InChIKeyQEAFMOQHFJLIDM-UHFFFAOYSA-N
XLogP3.92
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.29
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

Tricyclo(3.3.1.13,7)decane-1-carboxamide, N-(2-(diethylamino)ethyl)-, hydrochloride (1:1)
CID 212874
2-Adamantan-1-yl-N-decyl-acetamide
CID 11382033
2-(1-adamantyl)-N-cyclopropylacetamide
CID 5116038
2-(adamantan-1-yl)-N-methylacetamide
CID 610088
N-[2-(diethylamino)ethyl]-3,5-dimethyl-1-adamantanecarboxamide hydrochloride
CID 2850702
N-[3-[4-(3-aminopropylamino)butylamino]propyl]-2-[3-[2-[3-[4-(3-aminopropylamino)butylamino]propylamino]-2-oxoethyl]-1-adamantyl]acetamide
CID 10189295
2-(1-adamantyl)-N-[3-[3-(3-aminopropylamino)propylamino]propyl]acetamide
CID 44346643
N-[3-[3-(3-aminopropylamino)propylamino]propyl]adamantane-1-carboxamide
CID 44346832
Tricyclo(3.3.1.1(sup 3,7))decane-1-carboxamide, N-(2-(dimethylamino)ethyl)-
CID 3041449
N,N'-diisopropyl-1,3-adamantanedicarboxamide
CID 2882568
N-(3,7-dimethyloctyl)adamantane-2-carboxamide
CID 162661126
Octahydro-1,6-methano-naphthalene-1-carboxylic acid cyclohexylamide
CID 516777

Frequently Asked Questions

What is the IUPAC name of 2-(1-adamantyl)-N-(4-iodobutyl)acetamide?
The IUPAC name of 2-(1-adamantyl)-N-(4-iodobutyl)acetamide (CID 106846218) is 2-(1-adamantyl)-N-(4-iodobutyl)acetamide.
What is the SMILES notation for 2-(1-adamantyl)-N-(4-iodobutyl)acetamide?
The canonical SMILES for 2-(1-adamantyl)-N-(4-iodobutyl)acetamide is O=C(CC12CC3CC(CC(C3)C1)C2)NCCCCI.
What is the InChIKey of 2-(1-adamantyl)-N-(4-iodobutyl)acetamide?
The InChIKey is QEAFMOQHFJLIDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26INO/c17-3-1-2-4-18-15(19)11-16-8-12-5-13(9-16)7-14(6-12)10-16/h12-14H,1-11H2,(H,18,19).
What are the key properties of 2-(1-adamantyl)-N-(4-iodobutyl)acetamide?
2-(1-adamantyl)-N-(4-iodobutyl)acetamide has a molecular weight of 375.29 g/mol, XLogP of 3.92, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-adamantyl)-N-(4-iodobutyl)acetamide is sourced from PubChem (CID 106846218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).