2-(azepan-3-yl)-2,2-diphenylacetamide

C20H24N2O — CID 21271164

IUPAC2-(azepan-3-yl)-2,2-diphenylacetamide
SMILESNC(=O)C(c1ccccc1)(c1ccccc1)C1CCCCNC1
InChIInChI=1S/C20H24N2O/c21-19(23)20(16-9-3-1-4-10-16,17-11-5-2-6-12-17)18-13-7-8-14-22-15-18/h1-6,9-12,18,22H,7-8,13-15H2,(H2,21,23)
InChIKeyIVMHPXVSFIGSQQ-UHFFFAOYSA-N
MW308.43 g/mol
LogP2.85
Rot. Bonds4

About 2-(azepan-3-yl)-2,2-diphenylacetamide

2-(azepan-3-yl)-2,2-diphenylacetamide (PubChem CID 21271164) has the molecular formula C20H24N2O and a molecular weight of 308.43 g/mol. Its IUPAC name is 2-(azepan-3-yl)-2,2-diphenylacetamide.

Molecular Properties

Compound Name2-(azepan-3-yl)-2,2-diphenylacetamide
PubChem CID21271164
Molecular FormulaC20H24N2O
Molecular Weight308.43 g/mol
Exact Mass308.19
IUPAC Name2-(azepan-3-yl)-2,2-diphenylacetamide
SMILESNC(=O)C(c1ccccc1)(c1ccccc1)C1CCCCNC1
InChIInChI=1S/C20H24N2O/c21-19(23)20(16-9-3-1-4-10-16,17-11-5-2-6-12-17)18-13-7-8-14-22-15-18/h1-6,9-12,18,22H,7-8,13-15H2,(H2,21,23)
InChIKeyIVMHPXVSFIGSQQ-UHFFFAOYSA-N
XLogP2.85
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.43
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(azepan-3-yl)-2,2-diphenylacetamide?
The IUPAC name of 2-(azepan-3-yl)-2,2-diphenylacetamide (CID 21271164) is 2-(azepan-3-yl)-2,2-diphenylacetamide.
What is the SMILES notation for 2-(azepan-3-yl)-2,2-diphenylacetamide?
The canonical SMILES for 2-(azepan-3-yl)-2,2-diphenylacetamide is NC(=O)C(c1ccccc1)(c1ccccc1)C1CCCCNC1.
What is the InChIKey of 2-(azepan-3-yl)-2,2-diphenylacetamide?
The InChIKey is IVMHPXVSFIGSQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O/c21-19(23)20(16-9-3-1-4-10-16,17-11-5-2-6-12-17)18-13-7-8-14-22-15-18/h1-6,9-12,18,22H,7-8,13-15H2,(H2,21,23).
What are the key properties of 2-(azepan-3-yl)-2,2-diphenylacetamide?
2-(azepan-3-yl)-2,2-diphenylacetamide has a molecular weight of 308.43 g/mol, XLogP of 2.85, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azepan-3-yl)-2,2-diphenylacetamide is sourced from PubChem (CID 21271164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).