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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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).