2-[[2-(1-adamantyl)acetyl]amino]benzamide

C19H24N2O2 — CID 2960790

IUPAC2-[[2-(1-adamantyl)acetyl]amino]benzamide
SMILESNC(=O)c1ccccc1NC(=O)CC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C19H24N2O2/c20-18(23)15-3-1-2-4-16(15)21-17(22)11-19-8-12-5-13(9-19)7-14(6-12)10-19/h1-4,12-14H,5-11H2,(H2,20,23)(H,21,22)
InChIKeyGSRXJESEABWAQQ-UHFFFAOYSA-N
MW312.41 g/mol
LogP3.33
Rot. Bonds4

About 2-[[2-(1-adamantyl)acetyl]amino]benzamide

2-[[2-(1-adamantyl)acetyl]amino]benzamide (PubChem CID 2960790) has the molecular formula C19H24N2O2 and a molecular weight of 312.41 g/mol. Its IUPAC name is 2-[[2-(1-adamantyl)acetyl]amino]benzamide.

Molecular Properties

Compound Name2-[[2-(1-adamantyl)acetyl]amino]benzamide
PubChem CID2960790
Molecular FormulaC19H24N2O2
Molecular Weight312.41 g/mol
Exact Mass312.18
IUPAC Name2-[[2-(1-adamantyl)acetyl]amino]benzamide
SMILESNC(=O)c1ccccc1NC(=O)CC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C19H24N2O2/c20-18(23)15-3-1-2-4-16(15)21-17(22)11-19-8-12-5-13(9-19)7-14(6-12)10-19/h1-4,12-14H,5-11H2,(H2,20,23)(H,21,22)
InChIKeyGSRXJESEABWAQQ-UHFFFAOYSA-N
XLogP3.33
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.41
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-(1-adamantyl)acetyl]amino]benzamide?
The IUPAC name of 2-[[2-(1-adamantyl)acetyl]amino]benzamide (CID 2960790) is 2-[[2-(1-adamantyl)acetyl]amino]benzamide.
What is the SMILES notation for 2-[[2-(1-adamantyl)acetyl]amino]benzamide?
The canonical SMILES for 2-[[2-(1-adamantyl)acetyl]amino]benzamide is NC(=O)c1ccccc1NC(=O)CC12CC3CC(CC(C3)C1)C2.
What is the InChIKey of 2-[[2-(1-adamantyl)acetyl]amino]benzamide?
The InChIKey is GSRXJESEABWAQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O2/c20-18(23)15-3-1-2-4-16(15)21-17(22)11-19-8-12-5-13(9-19)7-14(6-12)10-19/h1-4,12-14H,5-11H2,(H2,20,23)(H,21,22).
What are the key properties of 2-[[2-(1-adamantyl)acetyl]amino]benzamide?
2-[[2-(1-adamantyl)acetyl]amino]benzamide has a molecular weight of 312.41 g/mol, XLogP of 3.33, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(1-adamantyl)acetyl]amino]benzamide is sourced from PubChem (CID 2960790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).