2-(1-adamantyl)-N-[4-[2-(dimethylcarbamoylamino)ethyl]phenyl]acetamide

C23H33N3O2 — CID 166321688

IUPAC2-(1-adamantyl)-N-[4-[2-(dimethylcarbamoylamino)ethyl]phenyl]acetamide
SMILESCN(C)C(=O)NCCc1ccc(NC(=O)CC23CC4CC(CC(C4)C2)C3)cc1
InChIInChI=1S/C23H33N3O2/c1-26(2)22(28)24-8-7-16-3-5-20(6-4-16)25-21(27)15-23-12-17-9-18(13-23)11-19(10-17)14-23/h3-6,17-19H,7-15H2,1-2H3,(H,24,28)(H,25,27)
InChIKeyUPEWAOMAQMEIFG-UHFFFAOYSA-N
MW383.54 g/mol
LogP4.05
Rot. Bonds6

About 2-(1-adamantyl)-N-[4-[2-(dimethylcarbamoylamino)ethyl]phenyl]acetamide

2-(1-adamantyl)-N-[4-[2-(dimethylcarbamoylamino)ethyl]phenyl]acetamide (PubChem CID 166321688) has the molecular formula C23H33N3O2 and a molecular weight of 383.54 g/mol. Its IUPAC name is 2-(1-adamantyl)-N-[4-[2-(dimethylcarbamoylamino)ethyl]phenyl]acetamide.

Molecular Properties

Compound Name2-(1-adamantyl)-N-[4-[2-(dimethylcarbamoylamino)ethyl]phenyl]acetamide
PubChem CID166321688
Molecular FormulaC23H33N3O2
Molecular Weight383.54 g/mol
Exact Mass383.26
IUPAC Name2-(1-adamantyl)-N-[4-[2-(dimethylcarbamoylamino)ethyl]phenyl]acetamide
SMILESCN(C)C(=O)NCCc1ccc(NC(=O)CC23CC4CC(CC(C4)C2)C3)cc1
InChIInChI=1S/C23H33N3O2/c1-26(2)22(28)24-8-7-16-3-5-20(6-4-16)25-21(27)15-23-12-17-9-18(13-23)11-19(10-17)14-23/h3-6,17-19H,7-15H2,1-2H3,(H,24,28)(H,25,27)
InChIKeyUPEWAOMAQMEIFG-UHFFFAOYSA-N
XLogP4.05
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.54
LogP ≤ 54.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-[4-[2-(dimethylcarbamoylamino)ethyl]anilino]-4-oxobutanoic acid
CID 166249706
2-(1-adamantyl)-N-[4-(2-pyridin-2-ylethyl)phenyl]acetamide
CID 46786313
2-(1-adamantyl)-N-(4-aminophenyl)acetamide
CID 79987888
N-[[4-[[2-(1-adamantyl)acetyl]amino]phenyl]methyl]-2,2,2-trifluoroacetamide
CID 108933649
4-[[2-[(5S,7R)-3-bromo-1-adamantyl]acetyl]amino]-N,N-dimethylbenzamide
CID 8698806
2-[4-[[2-[[2-(1-adamantyl)acetyl]amino]acetyl]amino]phenyl]-N-methylacetamide
CID 38404079
2-(1-adamantyl)-N-pyridin-4-ylacetamide
CID 2971527
2-(1-adamantyl)-N-[4-(4-chlorophenoxy)phenyl]acetamide
CID 3621040
N-[4-[[2-[[2-(1-adamantyl)acetyl]amino]acetyl]amino]phenyl]-2-methylpropanamide
CID 42123413
[2-(4-ethylanilino)-2-oxoethyl] 2-[[2-(1-adamantyl)acetyl]amino]acetate
CID 7251677
2-(1-adamantyl)-N-(3-ethylphenyl)acetamide
CID 7935228
[2-[4-(dimethylamino)anilino]-2-oxoethyl] 2-[[2-(1-adamantyl)acetyl]amino]acetate
CID 7603650

Frequently Asked Questions

What is the IUPAC name of 2-(1-adamantyl)-N-[4-[2-(dimethylcarbamoylamino)ethyl]phenyl]acetamide?
The IUPAC name of 2-(1-adamantyl)-N-[4-[2-(dimethylcarbamoylamino)ethyl]phenyl]acetamide (CID 166321688) is 2-(1-adamantyl)-N-[4-[2-(dimethylcarbamoylamino)ethyl]phenyl]acetamide.
What is the SMILES notation for 2-(1-adamantyl)-N-[4-[2-(dimethylcarbamoylamino)ethyl]phenyl]acetamide?
The canonical SMILES for 2-(1-adamantyl)-N-[4-[2-(dimethylcarbamoylamino)ethyl]phenyl]acetamide is CN(C)C(=O)NCCc1ccc(NC(=O)CC23CC4CC(CC(C4)C2)C3)cc1.
What is the InChIKey of 2-(1-adamantyl)-N-[4-[2-(dimethylcarbamoylamino)ethyl]phenyl]acetamide?
The InChIKey is UPEWAOMAQMEIFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33N3O2/c1-26(2)22(28)24-8-7-16-3-5-20(6-4-16)25-21(27)15-23-12-17-9-18(13-23)11-19(10-17)14-23/h3-6,17-19H,7-15H2,1-2H3,(H,24,28)(H,25,27).
What are the key properties of 2-(1-adamantyl)-N-[4-[2-(dimethylcarbamoylamino)ethyl]phenyl]acetamide?
2-(1-adamantyl)-N-[4-[2-(dimethylcarbamoylamino)ethyl]phenyl]acetamide has a molecular weight of 383.54 g/mol, XLogP of 4.05, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-adamantyl)-N-[4-[2-(dimethylcarbamoylamino)ethyl]phenyl]acetamide is sourced from PubChem (CID 166321688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).