3-[[3-(dimethylamino)benzoyl]amino]adamantane-1-carboxamide

C20H27N3O2 — CID 67480894

IUPAC3-[[3-(dimethylamino)benzoyl]amino]adamantane-1-carboxamide
SMILESCN(C)c1cccc(C(=O)NC23CC4CC(C2)CC(C(N)=O)(C4)C3)c1
InChIInChI=1S/C20H27N3O2/c1-23(2)16-5-3-4-15(7-16)17(24)22-20-10-13-6-14(11-20)9-19(8-13,12-20)18(21)25/h3-5,7,13-14H,6,8-12H2,1-2H3,(H2,21,25)(H,22,24)
InChIKeyQAAYVVGJCKDHDP-UHFFFAOYSA-N
MW341.45 g/mol
LogP2.31
Rot. Bonds4

About 3-[[3-(dimethylamino)benzoyl]amino]adamantane-1-carboxamide

3-[[3-(dimethylamino)benzoyl]amino]adamantane-1-carboxamide (PubChem CID 67480894) has the molecular formula C20H27N3O2 and a molecular weight of 341.45 g/mol. Its IUPAC name is 3-[[3-(dimethylamino)benzoyl]amino]adamantane-1-carboxamide.

Molecular Properties

Compound Name3-[[3-(dimethylamino)benzoyl]amino]adamantane-1-carboxamide
PubChem CID67480894
Molecular FormulaC20H27N3O2
Molecular Weight341.45 g/mol
Exact Mass341.21
IUPAC Name3-[[3-(dimethylamino)benzoyl]amino]adamantane-1-carboxamide
SMILESCN(C)c1cccc(C(=O)NC23CC4CC(C2)CC(C(N)=O)(C4)C3)c1
InChIInChI=1S/C20H27N3O2/c1-23(2)16-5-3-4-15(7-16)17(24)22-20-10-13-6-14(11-20)9-19(8-13,12-20)18(21)25/h3-5,7,13-14H,6,8-12H2,1-2H3,(H2,21,25)(H,22,24)
InChIKeyQAAYVVGJCKDHDP-UHFFFAOYSA-N
XLogP2.31
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.45
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(1-adamantylcarbamoylamino)-2-oxoethyl] 3-(dimethylamino)benzoate
CID 7260860
N-[5-(1-adamantyl)-1,3,4-thiadiazol-2-yl]-3-(dimethylamino)benzamide
CID 4147908
3-[[1-[(2-aminophenyl)sulfonyl-methylamino]cyclobutanecarbonyl]amino]adamantane-1-carboxamide
CID 90294223
N-(3-amino-1-adamantyl)benzamide
CID 67481027
(1S,5R)-5-[(3-methylbenzoyl)amino]bicyclo[3.2.1]octane-1-carboxamide
CID 70498375
methyl (5S,7S)-3-(3H-benzimidazole-5-carbonylamino)adamantane-1-carboxylate
CID 98207637
N-[(3-aminocyclobutyl)methyl]-3-(dimethylamino)benzamide
CID 66006240
3-[[2-[(2,3-dichlorophenyl)sulfonylamino]-2-methylpropanoyl]amino]adamantane-1-carboxamide
CID 90294303
3-[[1-[(3-chloro-2-methylphenyl)sulfonylamino]cyclobutanecarbonyl]amino]adamantane-1-carboxamide
CID 90294402
3-[[2-[(4-chlorophenyl)sulfonylamino]benzoyl]amino]adamantane-1-carboxamide
CID 141476428
3-[[[3-(dimethylamino)benzoyl]amino]methyl]benzamide
CID 32636517
3-(dimethylamino)-N-[1-(hydroxymethyl)-4-methylcyclohexyl]benzamide
CID 62525606

Frequently Asked Questions

What is the IUPAC name of 3-[[3-(dimethylamino)benzoyl]amino]adamantane-1-carboxamide?
The IUPAC name of 3-[[3-(dimethylamino)benzoyl]amino]adamantane-1-carboxamide (CID 67480894) is 3-[[3-(dimethylamino)benzoyl]amino]adamantane-1-carboxamide.
What is the SMILES notation for 3-[[3-(dimethylamino)benzoyl]amino]adamantane-1-carboxamide?
The canonical SMILES for 3-[[3-(dimethylamino)benzoyl]amino]adamantane-1-carboxamide is CN(C)c1cccc(C(=O)NC23CC4CC(C2)CC(C(N)=O)(C4)C3)c1.
What is the InChIKey of 3-[[3-(dimethylamino)benzoyl]amino]adamantane-1-carboxamide?
The InChIKey is QAAYVVGJCKDHDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O2/c1-23(2)16-5-3-4-15(7-16)17(24)22-20-10-13-6-14(11-20)9-19(8-13,12-20)18(21)25/h3-5,7,13-14H,6,8-12H2,1-2H3,(H2,21,25)(H,22,24).
What are the key properties of 3-[[3-(dimethylamino)benzoyl]amino]adamantane-1-carboxamide?
3-[[3-(dimethylamino)benzoyl]amino]adamantane-1-carboxamide has a molecular weight of 341.45 g/mol, XLogP of 2.31, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-(dimethylamino)benzoyl]amino]adamantane-1-carboxamide is sourced from PubChem (CID 67480894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).