N-[2-(cyclohexylamino)-2-oxoethyl]-2,2-diphenylacetamide

C22H26N2O2 — CID 1250894

IUPACN-[2-(cyclohexylamino)-2-oxoethyl]-2,2-diphenylacetamide
SMILESO=C(CNC(=O)C(c1ccccc1)c1ccccc1)NC1CCCCC1
InChIInChI=1S/C22H26N2O2/c25-20(24-19-14-8-3-9-15-19)16-23-22(26)21(17-10-4-1-5-11-17)18-12-6-2-7-13-18/h1-2,4-7,10-13,19,21H,3,8-9,14-16H2,(H,23,26)(H,24,25)
InChIKeyQJFPUEJLTWPCGU-UHFFFAOYSA-N
MW350.46 g/mol
LogP3.38
Rot. Bonds6

About N-[2-(cyclohexylamino)-2-oxoethyl]-2,2-diphenylacetamide

N-[2-(cyclohexylamino)-2-oxoethyl]-2,2-diphenylacetamide (PubChem CID 1250894) has the molecular formula C22H26N2O2 and a molecular weight of 350.46 g/mol. Its IUPAC name is N-[2-(cyclohexylamino)-2-oxoethyl]-2,2-diphenylacetamide.

Molecular Properties

Compound NameN-[2-(cyclohexylamino)-2-oxoethyl]-2,2-diphenylacetamide
PubChem CID1250894
Molecular FormulaC22H26N2O2
Molecular Weight350.46 g/mol
Exact Mass350.20
IUPAC NameN-[2-(cyclohexylamino)-2-oxoethyl]-2,2-diphenylacetamide
SMILESO=C(CNC(=O)C(c1ccccc1)c1ccccc1)NC1CCCCC1
InChIInChI=1S/C22H26N2O2/c25-20(24-19-14-8-3-9-15-19)16-23-22(26)21(17-10-4-1-5-11-17)18-12-6-2-7-13-18/h1-2,4-7,10-13,19,21H,3,8-9,14-16H2,(H,23,26)(H,24,25)
InChIKeyQJFPUEJLTWPCGU-UHFFFAOYSA-N
XLogP3.38
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.46
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclohexylamino)-2-oxoethyl]-2,2-diphenylacetamide?
The IUPAC name of N-[2-(cyclohexylamino)-2-oxoethyl]-2,2-diphenylacetamide (CID 1250894) is N-[2-(cyclohexylamino)-2-oxoethyl]-2,2-diphenylacetamide.
What is the SMILES notation for N-[2-(cyclohexylamino)-2-oxoethyl]-2,2-diphenylacetamide?
The canonical SMILES for N-[2-(cyclohexylamino)-2-oxoethyl]-2,2-diphenylacetamide is O=C(CNC(=O)C(c1ccccc1)c1ccccc1)NC1CCCCC1.
What is the InChIKey of N-[2-(cyclohexylamino)-2-oxoethyl]-2,2-diphenylacetamide?
The InChIKey is QJFPUEJLTWPCGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O2/c25-20(24-19-14-8-3-9-15-19)16-23-22(26)21(17-10-4-1-5-11-17)18-12-6-2-7-13-18/h1-2,4-7,10-13,19,21H,3,8-9,14-16H2,(H,23,26)(H,24,25).
What are the key properties of N-[2-(cyclohexylamino)-2-oxoethyl]-2,2-diphenylacetamide?
N-[2-(cyclohexylamino)-2-oxoethyl]-2,2-diphenylacetamide has a molecular weight of 350.46 g/mol, XLogP of 3.38, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclohexylamino)-2-oxoethyl]-2,2-diphenylacetamide is sourced from PubChem (CID 1250894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).