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

C24H36N2O3 — CID 67183480

IUPACN-(cyclohexylmethyl)-2-hydroxy-N-[2-[(1R,5S)-3-(3-hydroxyphenyl)-8-azabicyclo[3.2.1]octan-8-yl]ethyl]acetamide
SMILESO=C(CO)N(CCN1[C@@H]2CC[C@H]1CC(c1cccc(O)c1)C2)CC1CCCCC1
InChIInChI=1S/C24H36N2O3/c27-17-24(29)25(16-18-5-2-1-3-6-18)11-12-26-21-9-10-22(26)14-20(13-21)19-7-4-8-23(28)15-19/h4,7-8,15,18,20-22,27-28H,1-3,5-6,9-14,16-17H2/t20?,21-,22+
InChIKeyXZGLIIHTAGHLBZ-FRIKZZABSA-N
MW400.56 g/mol
LogP3.50
Rot. Bonds7

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

N-(cyclohexylmethyl)-2-hydroxy-N-[2-[(1R,5S)-3-(3-hydroxyphenyl)-8-azabicyclo[3.2.1]octan-8-yl]ethyl]acetamide (PubChem CID 67183480) has the molecular formula C24H36N2O3 and a molecular weight of 400.56 g/mol. Its IUPAC name is N-(cyclohexylmethyl)-2-hydroxy-N-[2-[(1R,5S)-3-(3-hydroxyphenyl)-8-azabicyclo[3.2.1]octan-8-yl]ethyl]acetamide.

Molecular Properties

Compound NameN-(cyclohexylmethyl)-2-hydroxy-N-[2-[(1R,5S)-3-(3-hydroxyphenyl)-8-azabicyclo[3.2.1]octan-8-yl]ethyl]acetamide
PubChem CID67183480
Molecular FormulaC24H36N2O3
Molecular Weight400.56 g/mol
Exact Mass400.27
IUPAC NameN-(cyclohexylmethyl)-2-hydroxy-N-[2-[(1R,5S)-3-(3-hydroxyphenyl)-8-azabicyclo[3.2.1]octan-8-yl]ethyl]acetamide
SMILESO=C(CO)N(CCN1[C@@H]2CC[C@H]1CC(c1cccc(O)c1)C2)CC1CCCCC1
InChIInChI=1S/C24H36N2O3/c27-17-24(29)25(16-18-5-2-1-3-6-18)11-12-26-21-9-10-22(26)14-20(13-21)19-7-4-8-23(28)15-19/h4,7-8,15,18,20-22,27-28H,1-3,5-6,9-14,16-17H2/t20?,21-,22+
InChIKeyXZGLIIHTAGHLBZ-FRIKZZABSA-N
XLogP3.50
TPSA64.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.56
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(1R,5R)-8-(2-hydroxy-3-phenylpropyl)-8-azabicyclo[3.2.1]octan-3-yl]phenol
CID 137633920
3-[8-(3-Phenylpropyl)-8-azabicyclo[3.2.1]octan-3-yl]phenol
CID 137638063
3-[(1R,5R)-8-(3-phenylpropyl)-8-azabicyclo[3.2.1]octan-3-yl]phenol
CID 137652968
N-benzyl-2-hydroxy-N-[2-[(1R,5S)-3-(3-hydroxyphenyl)-8-azabicyclo[3.2.1]octan-8-yl]ethyl]acetamide
CID 67183718
3-[cyclohexylmethyl-[2-[(1S,5R)-3-(3-hydroxyphenyl)-8-azabicyclo[3.2.1]octan-8-yl]ethyl]amino]-3-oxopropanoic acid
CID 67183097
(2S)-N-(cyclohexylmethyl)-2-hydroxy-N-[2-[(1R,5S)-3-(3-hydroxyphenyl)-8-azabicyclo[3.2.1]octan-8-yl]ethyl]-3-phenylpropanamide
CID 67183260
N-benzyl-N-[(2R)-1-[(1S,5R)-3-(3-hydroxyphenyl)-8-azabicyclo[3.2.1]octan-8-yl]propan-2-yl]acetamide
CID 67183336
N-(cyclohexylmethyl)-1-hydroxy-N-[2-[(1R,5S)-3-(3-hydroxyphenyl)-8-azabicyclo[3.2.1]octan-8-yl]ethyl]cyclopropane-1-carboxamide
CID 67183354
N-(cyclohexylmethyl)-N-[2-[(1R,5S)-3-(3-hydroxyphenyl)-8-azabicyclo[3.2.1]octan-8-yl]ethyl]cyclopentanecarboxamide
CID 67183448
2-hydroxy-N-[2-[(1S,5R)-3-(3-hydroxyphenyl)-8-azabicyclo[3.2.1]octan-8-yl]ethyl]-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide
CID 67183544
N-benzyl-2-ethyl-N-[2-[(1R,5S)-3-(3-hydroxyphenyl)-8-azabicyclo[3.2.1]octan-8-yl]ethyl]butanamide
CID 67183597
4-[cyclohexylmethyl-[2-[(1R,5S)-3-(3-hydroxyphenyl)-8-azabicyclo[3.2.1]octan-8-yl]ethyl]amino]-4-oxobutanoic acid
CID 67183646

Frequently Asked Questions

What is the IUPAC name of N-(cyclohexylmethyl)-2-hydroxy-N-[2-[(1R,5S)-3-(3-hydroxyphenyl)-8-azabicyclo[3.2.1]octan-8-yl]ethyl]acetamide?
The IUPAC name of N-(cyclohexylmethyl)-2-hydroxy-N-[2-[(1R,5S)-3-(3-hydroxyphenyl)-8-azabicyclo[3.2.1]octan-8-yl]ethyl]acetamide (CID 67183480) is N-(cyclohexylmethyl)-2-hydroxy-N-[2-[(1R,5S)-3-(3-hydroxyphenyl)-8-azabicyclo[3.2.1]octan-8-yl]ethyl]acetamide.
What is the SMILES notation for N-(cyclohexylmethyl)-2-hydroxy-N-[2-[(1R,5S)-3-(3-hydroxyphenyl)-8-azabicyclo[3.2.1]octan-8-yl]ethyl]acetamide?
The canonical SMILES for N-(cyclohexylmethyl)-2-hydroxy-N-[2-[(1R,5S)-3-(3-hydroxyphenyl)-8-azabicyclo[3.2.1]octan-8-yl]ethyl]acetamide is O=C(CO)N(CCN1[C@@H]2CC[C@H]1CC(c1cccc(O)c1)C2)CC1CCCCC1.
What is the InChIKey of N-(cyclohexylmethyl)-2-hydroxy-N-[2-[(1R,5S)-3-(3-hydroxyphenyl)-8-azabicyclo[3.2.1]octan-8-yl]ethyl]acetamide?
The InChIKey is XZGLIIHTAGHLBZ-FRIKZZABSA-N. The full InChI is InChI=1S/C24H36N2O3/c27-17-24(29)25(16-18-5-2-1-3-6-18)11-12-26-21-9-10-22(26)14-20(13-21)19-7-4-8-23(28)15-19/h4,7-8,15,18,20-22,27-28H,1-3,5-6,9-14,16-17H2/t20?,21-,22+.
What are the key properties of N-(cyclohexylmethyl)-2-hydroxy-N-[2-[(1R,5S)-3-(3-hydroxyphenyl)-8-azabicyclo[3.2.1]octan-8-yl]ethyl]acetamide?
N-(cyclohexylmethyl)-2-hydroxy-N-[2-[(1R,5S)-3-(3-hydroxyphenyl)-8-azabicyclo[3.2.1]octan-8-yl]ethyl]acetamide has a molecular weight of 400.56 g/mol, XLogP of 3.50, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexylmethyl)-2-hydroxy-N-[2-[(1R,5S)-3-(3-hydroxyphenyl)-8-azabicyclo[3.2.1]octan-8-yl]ethyl]acetamide is sourced from PubChem (CID 67183480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).