N-(cyclohexylmethyl)-N-[2-[3-(3-hydroxyphenyl)-8-azabicyclo[3.2.1]octan-8-yl]ethyl]cyclopentanecarboxamide

C28H42N2O2 — CID 67183449

IUPACN-(cyclohexylmethyl)-N-[2-[3-(3-hydroxyphenyl)-8-azabicyclo[3.2.1]octan-8-yl]ethyl]cyclopentanecarboxamide
SMILESO=C(C1CCCC1)N(CCN1C2CCC1CC(c1cccc(O)c1)C2)CC1CCCCC1
InChIInChI=1S/C28H42N2O2/c31-27-12-6-11-23(19-27)24-17-25-13-14-26(18-24)30(25)16-15-29(20-21-7-2-1-3-8-21)28(32)22-9-4-5-10-22/h6,11-12,19,21-22,24-26,31H,1-5,7-10,13-18,20H2
InChIKeyRESVOIMIAVKTCX-UHFFFAOYSA-N
MW438.66 g/mol
LogP5.70
Rot. Bonds7

About N-(cyclohexylmethyl)-N-[2-[3-(3-hydroxyphenyl)-8-azabicyclo[3.2.1]octan-8-yl]ethyl]cyclopentanecarboxamide

N-(cyclohexylmethyl)-N-[2-[3-(3-hydroxyphenyl)-8-azabicyclo[3.2.1]octan-8-yl]ethyl]cyclopentanecarboxamide (PubChem CID 67183449) has the molecular formula C28H42N2O2 and a molecular weight of 438.66 g/mol. Its IUPAC name is N-(cyclohexylmethyl)-N-[2-[3-(3-hydroxyphenyl)-8-azabicyclo[3.2.1]octan-8-yl]ethyl]cyclopentanecarboxamide.

Molecular Properties

Compound NameN-(cyclohexylmethyl)-N-[2-[3-(3-hydroxyphenyl)-8-azabicyclo[3.2.1]octan-8-yl]ethyl]cyclopentanecarboxamide
PubChem CID67183449
Molecular FormulaC28H42N2O2
Molecular Weight438.66 g/mol
Exact Mass438.32
IUPAC NameN-(cyclohexylmethyl)-N-[2-[3-(3-hydroxyphenyl)-8-azabicyclo[3.2.1]octan-8-yl]ethyl]cyclopentanecarboxamide
SMILESO=C(C1CCCC1)N(CCN1C2CCC1CC(c1cccc(O)c1)C2)CC1CCCCC1
InChIInChI=1S/C28H42N2O2/c31-27-12-6-11-23(19-27)24-17-25-13-14-26(18-24)30(25)16-15-29(20-21-7-2-1-3-8-21)28(32)22-9-4-5-10-22/h6,11-12,19,21-22,24-26,31H,1-5,7-10,13-18,20H2
InChIKeyRESVOIMIAVKTCX-UHFFFAOYSA-N
XLogP5.70
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.66
LogP ≤ 55.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(cyclohexylmethyl)-3-cyclopentyl-N-[2-[(1R,5S)-3-(3-hydroxyphenyl)-8-azabicyclo[3.2.1]octan-8-yl]ethyl]propanamide
CID 67184373
N-(cyclohexylmethyl)-N-[2-[(1R,5S)-3-(3-hydroxyphenyl)-8-azabicyclo[3.2.1]octan-8-yl]ethyl]-3-methylbutanamide
CID 68549968
1-(cyclohexylmethyl)-1-[2-[(1R,5S)-3-(3-hydroxyphenyl)-8-azabicyclo[3.2.1]octan-8-yl]ethyl]-3-pentylurea
CID 67184131
3-[8-[2-[cyclohexylmethyl-[2-(dimethylamino)acetyl]amino]ethyl]-8-azabicyclo[3.2.1]octan-3-yl]benzamide
CID 67183776
methyl N-[2-[(1S,5R)-3-(3-carbamoylphenyl)-8-azabicyclo[3.2.1]octan-8-yl]ethyl]-N-(cyclohexylmethyl)carbamate
CID 155542270
4-[2-[3-(3-carbamoylphenyl)-8-azabicyclo[3.2.1]octan-8-yl]ethyl-(cyclohexylmethyl)amino]-4-oxobutanoic acid
CID 67183596
N-benzyl-N-[2-[(1R,5S)-3-(3-hydroxyphenyl)-8-azabicyclo[3.2.1]octan-8-yl]ethyl]acetamide
CID 67184304
3-[(5S)-8-[2-[cyclohexylmethyl(2,3-dihydroxypropanoyl)amino]ethyl]-8-azabicyclo[3.2.1]octan-3-yl]benzamide
CID 69044624
3-[8-[2-[cyclohexylmethyl-[(2S)-2,4-dihydroxybutanoyl]amino]ethyl]-8-azabicyclo[3.2.1]octan-3-yl]benzamide
CID 67183177
N-(1-adamantylmethyl)-N-[2-[3-(3-hydroxyphenyl)-8-azabicyclo[3.2.1]octan-8-yl]ethyl]acetamide
CID 67183156
3-[(1S,5R)-8-[2-[cyclopentylmethyl-[3-hydroxy-2-(hydroxymethyl)-2-methylpropanoyl]amino]ethyl]-8-azabicyclo[3.2.1]octan-3-yl]benzamide
CID 67184922
3-[(1R,5S)-8-[2-[cyclohexylmethyl-[(2S)-2-hydroxy-3-phenylpropanoyl]amino]ethyl]-8-azabicyclo[3.2.1]octan-3-yl]benzamide
CID 67182970

Frequently Asked Questions

What is the IUPAC name of N-(cyclohexylmethyl)-N-[2-[3-(3-hydroxyphenyl)-8-azabicyclo[3.2.1]octan-8-yl]ethyl]cyclopentanecarboxamide?
The IUPAC name of N-(cyclohexylmethyl)-N-[2-[3-(3-hydroxyphenyl)-8-azabicyclo[3.2.1]octan-8-yl]ethyl]cyclopentanecarboxamide (CID 67183449) is N-(cyclohexylmethyl)-N-[2-[3-(3-hydroxyphenyl)-8-azabicyclo[3.2.1]octan-8-yl]ethyl]cyclopentanecarboxamide.
What is the SMILES notation for N-(cyclohexylmethyl)-N-[2-[3-(3-hydroxyphenyl)-8-azabicyclo[3.2.1]octan-8-yl]ethyl]cyclopentanecarboxamide?
The canonical SMILES for N-(cyclohexylmethyl)-N-[2-[3-(3-hydroxyphenyl)-8-azabicyclo[3.2.1]octan-8-yl]ethyl]cyclopentanecarboxamide is O=C(C1CCCC1)N(CCN1C2CCC1CC(c1cccc(O)c1)C2)CC1CCCCC1.
What is the InChIKey of N-(cyclohexylmethyl)-N-[2-[3-(3-hydroxyphenyl)-8-azabicyclo[3.2.1]octan-8-yl]ethyl]cyclopentanecarboxamide?
The InChIKey is RESVOIMIAVKTCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H42N2O2/c31-27-12-6-11-23(19-27)24-17-25-13-14-26(18-24)30(25)16-15-29(20-21-7-2-1-3-8-21)28(32)22-9-4-5-10-22/h6,11-12,19,21-22,24-26,31H,1-5,7-10,13-18,20H2.
What are the key properties of N-(cyclohexylmethyl)-N-[2-[3-(3-hydroxyphenyl)-8-azabicyclo[3.2.1]octan-8-yl]ethyl]cyclopentanecarboxamide?
N-(cyclohexylmethyl)-N-[2-[3-(3-hydroxyphenyl)-8-azabicyclo[3.2.1]octan-8-yl]ethyl]cyclopentanecarboxamide has a molecular weight of 438.66 g/mol, XLogP of 5.70, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexylmethyl)-N-[2-[3-(3-hydroxyphenyl)-8-azabicyclo[3.2.1]octan-8-yl]ethyl]cyclopentanecarboxamide is sourced from PubChem (CID 67183449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).