2-(1-adamantyl)-N-[1-(1-adamantyl)ethyl]acetamide

C24H37NO — CID 5116643

IUPAC2-(1-adamantyl)-N-[1-(1-adamantyl)ethyl]acetamide
SMILESCC(NC(=O)CC12CC3CC(CC(C3)C1)C2)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C24H37NO/c1-15(24-11-19-5-20(12-24)7-21(6-19)13-24)25-22(26)14-23-8-16-2-17(9-23)4-18(3-16)10-23/h15-21H,2-14H2,1H3,(H,25,26)
InChIKeyMARKNSVDHIUVIE-UHFFFAOYSA-N
MW355.57 g/mol
LogP5.31
Rot. Bonds4

About 2-(1-adamantyl)-N-[1-(1-adamantyl)ethyl]acetamide

2-(1-adamantyl)-N-[1-(1-adamantyl)ethyl]acetamide (PubChem CID 5116643) has the molecular formula C24H37NO and a molecular weight of 355.57 g/mol. Its IUPAC name is 2-(1-adamantyl)-N-[1-(1-adamantyl)ethyl]acetamide.

Molecular Properties

Compound Name2-(1-adamantyl)-N-[1-(1-adamantyl)ethyl]acetamide
PubChem CID5116643
Molecular FormulaC24H37NO
Molecular Weight355.57 g/mol
Exact Mass355.29
IUPAC Name2-(1-adamantyl)-N-[1-(1-adamantyl)ethyl]acetamide
SMILESCC(NC(=O)CC12CC3CC(CC(C3)C1)C2)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C24H37NO/c1-15(24-11-19-5-20(12-24)7-21(6-19)13-24)25-22(26)14-23-8-16-2-17(9-23)4-18(3-16)10-23/h15-21H,2-14H2,1H3,(H,25,26)
InChIKeyMARKNSVDHIUVIE-UHFFFAOYSA-N
XLogP5.31
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500355.57
LogP ≤ 55.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 2-(1-adamantyl)-N-[1-(1-adamantyl)ethyl]acetamide 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
2-Adamantan-1-yl-N-decyl-acetamide
CID 11382033
(2S)-2-(adamantan-1-yl)-2-amino-N-[(1S)-1-cyanoethyl]acetamide
CID 23645892
N-(2-adamantyl)cyclohexanecarboxamide
CID 891290
N-{1-(1-adamantyl)-2-[(2-methoxyethyl)amino]-2-oxoethyl}cyclohexanecarboxamide
CID 2960871
2-(1-adamantyl)-N-cyclopropylacetamide
CID 5116038
N-Adamantan-2-yl-2-[1-(isobutylcarbamoyl-methyl)-cyclopentyl]-acetamide
CID 24825785
N-Adamantan-2-yl-2-(1-cyclopropylcarbamoylmethyl-cyclohexyl)-acetamide
CID 24947984
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

Frequently Asked Questions

What is the IUPAC name of 2-(1-adamantyl)-N-[1-(1-adamantyl)ethyl]acetamide?
The IUPAC name of 2-(1-adamantyl)-N-[1-(1-adamantyl)ethyl]acetamide (CID 5116643) is 2-(1-adamantyl)-N-[1-(1-adamantyl)ethyl]acetamide.
What is the SMILES notation for 2-(1-adamantyl)-N-[1-(1-adamantyl)ethyl]acetamide?
The canonical SMILES for 2-(1-adamantyl)-N-[1-(1-adamantyl)ethyl]acetamide is CC(NC(=O)CC12CC3CC(CC(C3)C1)C2)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of 2-(1-adamantyl)-N-[1-(1-adamantyl)ethyl]acetamide?
The InChIKey is MARKNSVDHIUVIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H37NO/c1-15(24-11-19-5-20(12-24)7-21(6-19)13-24)25-22(26)14-23-8-16-2-17(9-23)4-18(3-16)10-23/h15-21H,2-14H2,1H3,(H,25,26).
What are the key properties of 2-(1-adamantyl)-N-[1-(1-adamantyl)ethyl]acetamide?
2-(1-adamantyl)-N-[1-(1-adamantyl)ethyl]acetamide has a molecular weight of 355.57 g/mol, XLogP of 5.31, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-adamantyl)-N-[1-(1-adamantyl)ethyl]acetamide is sourced from PubChem (CID 5116643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).