4-[[cyclopropyl-(2-naphthalen-1-ylacetyl)amino]methyl]benzamide

C23H22N2O2 — CID 38363437

IUPAC4-[[cyclopropyl-(2-naphthalen-1-ylacetyl)amino]methyl]benzamide
SMILESNC(=O)c1ccc(CN(C(=O)Cc2cccc3ccccc23)C2CC2)cc1
InChIInChI=1S/C23H22N2O2/c24-23(27)18-10-8-16(9-11-18)15-25(20-12-13-20)22(26)14-19-6-3-5-17-4-1-2-7-21(17)19/h1-11,20H,12-15H2,(H2,24,27)
InChIKeyQHCLHXFEMVTRRD-UHFFFAOYSA-N
MW358.44 g/mol
LogP3.67
Rot. Bonds6

About 4-[[cyclopropyl-(2-naphthalen-1-ylacetyl)amino]methyl]benzamide

4-[[cyclopropyl-(2-naphthalen-1-ylacetyl)amino]methyl]benzamide (PubChem CID 38363437) has the molecular formula C23H22N2O2 and a molecular weight of 358.44 g/mol. Its IUPAC name is 4-[[cyclopropyl-(2-naphthalen-1-ylacetyl)amino]methyl]benzamide.

Molecular Properties

Compound Name4-[[cyclopropyl-(2-naphthalen-1-ylacetyl)amino]methyl]benzamide
PubChem CID38363437
Molecular FormulaC23H22N2O2
Molecular Weight358.44 g/mol
Exact Mass358.17
IUPAC Name4-[[cyclopropyl-(2-naphthalen-1-ylacetyl)amino]methyl]benzamide
SMILESNC(=O)c1ccc(CN(C(=O)Cc2cccc3ccccc23)C2CC2)cc1
InChIInChI=1S/C23H22N2O2/c24-23(27)18-10-8-16(9-11-18)15-25(20-12-13-20)22(26)14-19-6-3-5-17-4-1-2-7-21(17)19/h1-11,20H,12-15H2,(H2,24,27)
InChIKeyQHCLHXFEMVTRRD-UHFFFAOYSA-N
XLogP3.67
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.44
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[[cyclopropyl-(2-naphthalen-1-ylacetyl)amino]methyl]benzamide?
The IUPAC name of 4-[[cyclopropyl-(2-naphthalen-1-ylacetyl)amino]methyl]benzamide (CID 38363437) is 4-[[cyclopropyl-(2-naphthalen-1-ylacetyl)amino]methyl]benzamide.
What is the SMILES notation for 4-[[cyclopropyl-(2-naphthalen-1-ylacetyl)amino]methyl]benzamide?
The canonical SMILES for 4-[[cyclopropyl-(2-naphthalen-1-ylacetyl)amino]methyl]benzamide is NC(=O)c1ccc(CN(C(=O)Cc2cccc3ccccc23)C2CC2)cc1.
What is the InChIKey of 4-[[cyclopropyl-(2-naphthalen-1-ylacetyl)amino]methyl]benzamide?
The InChIKey is QHCLHXFEMVTRRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N2O2/c24-23(27)18-10-8-16(9-11-18)15-25(20-12-13-20)22(26)14-19-6-3-5-17-4-1-2-7-21(17)19/h1-11,20H,12-15H2,(H2,24,27).
What are the key properties of 4-[[cyclopropyl-(2-naphthalen-1-ylacetyl)amino]methyl]benzamide?
4-[[cyclopropyl-(2-naphthalen-1-ylacetyl)amino]methyl]benzamide has a molecular weight of 358.44 g/mol, XLogP of 3.67, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[cyclopropyl-(2-naphthalen-1-ylacetyl)amino]methyl]benzamide is sourced from PubChem (CID 38363437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).