2-(1-adamantyl)-N-decylacetamide

C22H39NO — CID 11382033

IUPAC2-(1-adamantyl)-N-decylacetamide
SMILESCCCCCCCCCCNC(=O)CC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C22H39NO/c1-2-3-4-5-6-7-8-9-10-23-21(24)17-22-14-18-11-19(15-22)13-20(12-18)16-22/h18-20H,2-17H2,1H3,(H,23,24)
InChIKeyCIOJRKYNUJJCLZ-UHFFFAOYSA-N
MW333.56 g/mol
LogP5.85
Rot. Bonds11

About 2-(1-adamantyl)-N-decylacetamide

2-(1-adamantyl)-N-decylacetamide (PubChem CID 11382033) has the molecular formula C22H39NO and a molecular weight of 333.56 g/mol. Its IUPAC name is 2-(1-adamantyl)-N-decylacetamide.

Molecular Properties

Compound Name2-(1-adamantyl)-N-decylacetamide
PubChem CID11382033
Molecular FormulaC22H39NO
Molecular Weight333.56 g/mol
Exact Mass333.30
IUPAC Name2-(1-adamantyl)-N-decylacetamide
SMILESCCCCCCCCCCNC(=O)CC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C22H39NO/c1-2-3-4-5-6-7-8-9-10-23-21(24)17-22-14-18-11-19(15-22)13-20(12-18)16-22/h18-20H,2-17H2,1H3,(H,23,24)
InChIKeyCIOJRKYNUJJCLZ-UHFFFAOYSA-N
XLogP5.85
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500333.56
LogP ≤ 55.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-(1-adamantyl)-N-decylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Tricyclo(3.3.1.13,7)decane-1-carboxamide, N-(2-(diethylamino)ethyl)-, hydrochloride (1:1)
CID 212874
Dodecanoic acid adamantan-1-ylamide
CID 5071820
Adamantan-1-yl-piperazin-1-yl-methanone
CID 17233943
N-(2-adamantyl)cyclohexanecarboxamide
CID 891290
2-(1-adamantyl)-N-cyclopropylacetamide
CID 5116038
(3,5-Dimethyl-1-adamantyl)-pyrrolidin-1-ylmethanone
CID 6464652
N-Adamantan-2-yl-2-[1-(isobutylcarbamoyl-methyl)-cyclopentyl]-acetamide
CID 24825785
2-(adamantan-1-yl)-N-methylacetamide
CID 610088
N-[2-(diethylamino)ethyl]-3,5-dimethyl-1-adamantanecarboxamide hydrochloride
CID 2850702
Cambridge id 5561203
CID 2852753
N-[1-[2-(dimethylamino)ethylamino]-1-oxopropan-2-yl]adamantane-1-carboxamide;hydrochloride
CID 6603536
N-[3-[4-(3-aminopropylamino)butylamino]propyl]-2-[3-[2-[3-[4-(3-aminopropylamino)butylamino]propylamino]-2-oxoethyl]-1-adamantyl]acetamide
CID 10189295

Frequently Asked Questions

What is the IUPAC name of 2-(1-adamantyl)-N-decylacetamide?
The IUPAC name of 2-(1-adamantyl)-N-decylacetamide (CID 11382033) is 2-(1-adamantyl)-N-decylacetamide.
What is the SMILES notation for 2-(1-adamantyl)-N-decylacetamide?
The canonical SMILES for 2-(1-adamantyl)-N-decylacetamide is CCCCCCCCCCNC(=O)CC12CC3CC(CC(C3)C1)C2.
What is the InChIKey of 2-(1-adamantyl)-N-decylacetamide?
The InChIKey is CIOJRKYNUJJCLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H39NO/c1-2-3-4-5-6-7-8-9-10-23-21(24)17-22-14-18-11-19(15-22)13-20(12-18)16-22/h18-20H,2-17H2,1H3,(H,23,24).
What are the key properties of 2-(1-adamantyl)-N-decylacetamide?
2-(1-adamantyl)-N-decylacetamide has a molecular weight of 333.56 g/mol, XLogP of 5.85, 11 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-adamantyl)-N-decylacetamide is sourced from PubChem (CID 11382033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).