2-cyclohexyl-N-[2-(cyclohexylamino)ethyl]-2-phenylacetamide

C22H34N2O — CID 14208403

IUPAC2-cyclohexyl-N-[2-(cyclohexylamino)ethyl]-2-phenylacetamide
SMILESO=C(NCCNC1CCCCC1)C(c1ccccc1)C1CCCCC1
InChIInChI=1S/C22H34N2O/c25-22(24-17-16-23-20-14-8-3-9-15-20)21(18-10-4-1-5-11-18)19-12-6-2-7-13-19/h1,4-5,10-11,19-21,23H,2-3,6-9,12-17H2,(H,24,25)
InChIKeySHMZNQBOXVJZOJ-UHFFFAOYSA-N
MW342.53 g/mol
LogP4.39
Rot. Bonds7

About 2-cyclohexyl-N-[2-(cyclohexylamino)ethyl]-2-phenylacetamide

2-cyclohexyl-N-[2-(cyclohexylamino)ethyl]-2-phenylacetamide (PubChem CID 14208403) has the molecular formula C22H34N2O and a molecular weight of 342.53 g/mol. Its IUPAC name is 2-cyclohexyl-N-[2-(cyclohexylamino)ethyl]-2-phenylacetamide.

Molecular Properties

Compound Name2-cyclohexyl-N-[2-(cyclohexylamino)ethyl]-2-phenylacetamide
PubChem CID14208403
Molecular FormulaC22H34N2O
Molecular Weight342.53 g/mol
Exact Mass342.27
IUPAC Name2-cyclohexyl-N-[2-(cyclohexylamino)ethyl]-2-phenylacetamide
SMILESO=C(NCCNC1CCCCC1)C(c1ccccc1)C1CCCCC1
InChIInChI=1S/C22H34N2O/c25-22(24-17-16-23-20-14-8-3-9-15-20)21(18-10-4-1-5-11-18)19-12-6-2-7-13-19/h1,4-5,10-11,19-21,23H,2-3,6-9,12-17H2,(H,24,25)
InChIKeySHMZNQBOXVJZOJ-UHFFFAOYSA-N
XLogP4.39
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.53
LogP ≤ 54.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-N-[2-(cyclohexylamino)ethyl]-2-phenylacetamide?
The IUPAC name of 2-cyclohexyl-N-[2-(cyclohexylamino)ethyl]-2-phenylacetamide (CID 14208403) is 2-cyclohexyl-N-[2-(cyclohexylamino)ethyl]-2-phenylacetamide.
What is the SMILES notation for 2-cyclohexyl-N-[2-(cyclohexylamino)ethyl]-2-phenylacetamide?
The canonical SMILES for 2-cyclohexyl-N-[2-(cyclohexylamino)ethyl]-2-phenylacetamide is O=C(NCCNC1CCCCC1)C(c1ccccc1)C1CCCCC1.
What is the InChIKey of 2-cyclohexyl-N-[2-(cyclohexylamino)ethyl]-2-phenylacetamide?
The InChIKey is SHMZNQBOXVJZOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H34N2O/c25-22(24-17-16-23-20-14-8-3-9-15-20)21(18-10-4-1-5-11-18)19-12-6-2-7-13-19/h1,4-5,10-11,19-21,23H,2-3,6-9,12-17H2,(H,24,25).
What are the key properties of 2-cyclohexyl-N-[2-(cyclohexylamino)ethyl]-2-phenylacetamide?
2-cyclohexyl-N-[2-(cyclohexylamino)ethyl]-2-phenylacetamide has a molecular weight of 342.53 g/mol, XLogP of 4.39, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-N-[2-(cyclohexylamino)ethyl]-2-phenylacetamide is sourced from PubChem (CID 14208403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).