N-cyclohexyl-2-[[3-(hydroxymethyl)-2-bicyclo[2.2.1]heptanyl]amino]-N-phenylacetamide

C22H32N2O2 — CID 22251074

IUPACN-cyclohexyl-2-[[3-(hydroxymethyl)-2-bicyclo[2.2.1]heptanyl]amino]-N-phenylacetamide
SMILESO=C(CNC1C2CCC(C2)C1CO)N(c1ccccc1)C1CCCCC1
InChIInChI=1S/C22H32N2O2/c25-15-20-16-11-12-17(13-16)22(20)23-14-21(26)24(18-7-3-1-4-8-18)19-9-5-2-6-10-19/h1,3-4,7-8,16-17,19-20,22-23,25H,2,5-6,9-15H2
InChIKeyMCIDUJJGZTWLQC-UHFFFAOYSA-N
MW356.51 g/mol
LogP3.35
Rot. Bonds6

About N-cyclohexyl-2-[[3-(hydroxymethyl)-2-bicyclo[2.2.1]heptanyl]amino]-N-phenylacetamide

N-cyclohexyl-2-[[3-(hydroxymethyl)-2-bicyclo[2.2.1]heptanyl]amino]-N-phenylacetamide (PubChem CID 22251074) has the molecular formula C22H32N2O2 and a molecular weight of 356.51 g/mol. Its IUPAC name is N-cyclohexyl-2-[[3-(hydroxymethyl)-2-bicyclo[2.2.1]heptanyl]amino]-N-phenylacetamide.

Molecular Properties

Compound NameN-cyclohexyl-2-[[3-(hydroxymethyl)-2-bicyclo[2.2.1]heptanyl]amino]-N-phenylacetamide
PubChem CID22251074
Molecular FormulaC22H32N2O2
Molecular Weight356.51 g/mol
Exact Mass356.25
IUPAC NameN-cyclohexyl-2-[[3-(hydroxymethyl)-2-bicyclo[2.2.1]heptanyl]amino]-N-phenylacetamide
SMILESO=C(CNC1C2CCC(C2)C1CO)N(c1ccccc1)C1CCCCC1
InChIInChI=1S/C22H32N2O2/c25-15-20-16-11-12-17(13-16)22(20)23-14-21(26)24(18-7-3-1-4-8-18)19-9-5-2-6-10-19/h1,3-4,7-8,16-17,19-20,22-23,25H,2,5-6,9-15H2
InChIKeyMCIDUJJGZTWLQC-UHFFFAOYSA-N
XLogP3.35
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.51
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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[2-(N-cyclohexylanilino)-2-oxoethyl]-[2-(2,6-dimethylanilino)-2-oxoethyl]-methylazanium
CID 9221937
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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-[[3-(hydroxymethyl)-2-bicyclo[2.2.1]heptanyl]amino]-N-phenylacetamide?
The IUPAC name of N-cyclohexyl-2-[[3-(hydroxymethyl)-2-bicyclo[2.2.1]heptanyl]amino]-N-phenylacetamide (CID 22251074) is N-cyclohexyl-2-[[3-(hydroxymethyl)-2-bicyclo[2.2.1]heptanyl]amino]-N-phenylacetamide.
What is the SMILES notation for N-cyclohexyl-2-[[3-(hydroxymethyl)-2-bicyclo[2.2.1]heptanyl]amino]-N-phenylacetamide?
The canonical SMILES for N-cyclohexyl-2-[[3-(hydroxymethyl)-2-bicyclo[2.2.1]heptanyl]amino]-N-phenylacetamide is O=C(CNC1C2CCC(C2)C1CO)N(c1ccccc1)C1CCCCC1.
What is the InChIKey of N-cyclohexyl-2-[[3-(hydroxymethyl)-2-bicyclo[2.2.1]heptanyl]amino]-N-phenylacetamide?
The InChIKey is MCIDUJJGZTWLQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N2O2/c25-15-20-16-11-12-17(13-16)22(20)23-14-21(26)24(18-7-3-1-4-8-18)19-9-5-2-6-10-19/h1,3-4,7-8,16-17,19-20,22-23,25H,2,5-6,9-15H2.
What are the key properties of N-cyclohexyl-2-[[3-(hydroxymethyl)-2-bicyclo[2.2.1]heptanyl]amino]-N-phenylacetamide?
N-cyclohexyl-2-[[3-(hydroxymethyl)-2-bicyclo[2.2.1]heptanyl]amino]-N-phenylacetamide has a molecular weight of 356.51 g/mol, XLogP of 3.35, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-[[3-(hydroxymethyl)-2-bicyclo[2.2.1]heptanyl]amino]-N-phenylacetamide is sourced from PubChem (CID 22251074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).