N-(cyclohexylmethyl)-N-[2-[(1S,5R)-3-(3-hydroxyphenyl)-8-azabicyclo[3.2.1]octan-8-yl]ethyl]acetamide

C24H36N2O2 — CID 67184178

IUPACN-(cyclohexylmethyl)-N-[2-[(1S,5R)-3-(3-hydroxyphenyl)-8-azabicyclo[3.2.1]octan-8-yl]ethyl]acetamide
SMILESCC(=O)N(CCN1[C@@H]2CC[C@H]1CC(c1cccc(O)c1)C2)CC1CCCCC1
InChIInChI=1S/C24H36N2O2/c1-18(27)25(17-19-6-3-2-4-7-19)12-13-26-22-10-11-23(26)15-21(14-22)20-8-5-9-24(28)16-20/h5,8-9,16,19,21-23,28H,2-4,6-7,10-15,17H2,1H3/t21?,22-,23+
InChIKeyNZMDGFNYODUIMG-NOTZXAQLSA-N
MW384.56 g/mol
LogP4.53
Rot. Bonds6

About N-(cyclohexylmethyl)-N-[2-[(1S,5R)-3-(3-hydroxyphenyl)-8-azabicyclo[3.2.1]octan-8-yl]ethyl]acetamide

N-(cyclohexylmethyl)-N-[2-[(1S,5R)-3-(3-hydroxyphenyl)-8-azabicyclo[3.2.1]octan-8-yl]ethyl]acetamide (PubChem CID 67184178) has the molecular formula C24H36N2O2 and a molecular weight of 384.56 g/mol. Its IUPAC name is N-(cyclohexylmethyl)-N-[2-[(1S,5R)-3-(3-hydroxyphenyl)-8-azabicyclo[3.2.1]octan-8-yl]ethyl]acetamide.

Molecular Properties

Compound NameN-(cyclohexylmethyl)-N-[2-[(1S,5R)-3-(3-hydroxyphenyl)-8-azabicyclo[3.2.1]octan-8-yl]ethyl]acetamide
PubChem CID67184178
Molecular FormulaC24H36N2O2
Molecular Weight384.56 g/mol
Exact Mass384.28
IUPAC NameN-(cyclohexylmethyl)-N-[2-[(1S,5R)-3-(3-hydroxyphenyl)-8-azabicyclo[3.2.1]octan-8-yl]ethyl]acetamide
SMILESCC(=O)N(CCN1[C@@H]2CC[C@H]1CC(c1cccc(O)c1)C2)CC1CCCCC1
InChIInChI=1S/C24H36N2O2/c1-18(27)25(17-19-6-3-2-4-7-19)12-13-26-22-10-11-23(26)15-21(14-22)20-8-5-9-24(28)16-20/h5,8-9,16,19,21-23,28H,2-4,6-7,10-15,17H2,1H3/t21?,22-,23+
InChIKeyNZMDGFNYODUIMG-NOTZXAQLSA-N
XLogP4.53
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.56
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(cyclohexylmethyl)-N-[2-[(1S,5R)-3-(3-hydroxyphenyl)-8-azabicyclo[3.2.1]octan-8-yl]ethyl]acetamide?
The IUPAC name of N-(cyclohexylmethyl)-N-[2-[(1S,5R)-3-(3-hydroxyphenyl)-8-azabicyclo[3.2.1]octan-8-yl]ethyl]acetamide (CID 67184178) is N-(cyclohexylmethyl)-N-[2-[(1S,5R)-3-(3-hydroxyphenyl)-8-azabicyclo[3.2.1]octan-8-yl]ethyl]acetamide.
What is the SMILES notation for N-(cyclohexylmethyl)-N-[2-[(1S,5R)-3-(3-hydroxyphenyl)-8-azabicyclo[3.2.1]octan-8-yl]ethyl]acetamide?
The canonical SMILES for N-(cyclohexylmethyl)-N-[2-[(1S,5R)-3-(3-hydroxyphenyl)-8-azabicyclo[3.2.1]octan-8-yl]ethyl]acetamide is CC(=O)N(CCN1[C@@H]2CC[C@H]1CC(c1cccc(O)c1)C2)CC1CCCCC1.
What is the InChIKey of N-(cyclohexylmethyl)-N-[2-[(1S,5R)-3-(3-hydroxyphenyl)-8-azabicyclo[3.2.1]octan-8-yl]ethyl]acetamide?
The InChIKey is NZMDGFNYODUIMG-NOTZXAQLSA-N. The full InChI is InChI=1S/C24H36N2O2/c1-18(27)25(17-19-6-3-2-4-7-19)12-13-26-22-10-11-23(26)15-21(14-22)20-8-5-9-24(28)16-20/h5,8-9,16,19,21-23,28H,2-4,6-7,10-15,17H2,1H3/t21?,22-,23+.
What are the key properties of N-(cyclohexylmethyl)-N-[2-[(1S,5R)-3-(3-hydroxyphenyl)-8-azabicyclo[3.2.1]octan-8-yl]ethyl]acetamide?
N-(cyclohexylmethyl)-N-[2-[(1S,5R)-3-(3-hydroxyphenyl)-8-azabicyclo[3.2.1]octan-8-yl]ethyl]acetamide has a molecular weight of 384.56 g/mol, XLogP of 4.53, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexylmethyl)-N-[2-[(1S,5R)-3-(3-hydroxyphenyl)-8-azabicyclo[3.2.1]octan-8-yl]ethyl]acetamide is sourced from PubChem (CID 67184178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).