(5R)-2-(cyclohexylmethyl)-N-[(1R,2R)-1,3-dihydroxy-1-phenylpropan-2-yl]-6-azaspiro[2.5]octane-5-carboxamide

C24H36N2O3 — CID 163548102

IUPAC(5R)-2-(cyclohexylmethyl)-N-[(1R,2R)-1,3-dihydroxy-1-phenylpropan-2-yl]-6-azaspiro[2.5]octane-5-carboxamide
SMILESO=C(N[C@H](CO)[C@H](O)c1ccccc1)[C@H]1CC2(CCN1)CC2CC1CCCCC1
InChIInChI=1S/C24H36N2O3/c27-16-21(22(28)18-9-5-2-6-10-18)26-23(29)20-15-24(11-12-25-20)14-19(24)13-17-7-3-1-4-8-17/h2,5-6,9-10,17,19-22,25,27-28H,1,3-4,7-8,11-16H2,(H,26,29)/t19?,20-,21-,22-,24?/m1/s1
InChIKeyFGTQSGKMTLLAFJ-RXTVISKSSA-N
MW400.56 g/mol
LogP2.93
Rot. Bonds7

About (5R)-2-(cyclohexylmethyl)-N-[(1R,2R)-1,3-dihydroxy-1-phenylpropan-2-yl]-6-azaspiro[2.5]octane-5-carboxamide

(5R)-2-(cyclohexylmethyl)-N-[(1R,2R)-1,3-dihydroxy-1-phenylpropan-2-yl]-6-azaspiro[2.5]octane-5-carboxamide (PubChem CID 163548102) has the molecular formula C24H36N2O3 and a molecular weight of 400.56 g/mol. Its IUPAC name is (5R)-2-(cyclohexylmethyl)-N-[(1R,2R)-1,3-dihydroxy-1-phenylpropan-2-yl]-6-azaspiro[2.5]octane-5-carboxamide.

Molecular Properties

Compound Name(5R)-2-(cyclohexylmethyl)-N-[(1R,2R)-1,3-dihydroxy-1-phenylpropan-2-yl]-6-azaspiro[2.5]octane-5-carboxamide
PubChem CID163548102
Molecular FormulaC24H36N2O3
Molecular Weight400.56 g/mol
Exact Mass400.27
IUPAC Name(5R)-2-(cyclohexylmethyl)-N-[(1R,2R)-1,3-dihydroxy-1-phenylpropan-2-yl]-6-azaspiro[2.5]octane-5-carboxamide
SMILESO=C(N[C@H](CO)[C@H](O)c1ccccc1)[C@H]1CC2(CCN1)CC2CC1CCCCC1
InChIInChI=1S/C24H36N2O3/c27-16-21(22(28)18-9-5-2-6-10-18)26-23(29)20-15-24(11-12-25-20)14-19(24)13-17-7-3-1-4-8-17/h2,5-6,9-10,17,19-22,25,27-28H,1,3-4,7-8,11-16H2,(H,26,29)/t19?,20-,21-,22-,24?/m1/s1
InChIKeyFGTQSGKMTLLAFJ-RXTVISKSSA-N
XLogP2.93
TPSA81.59 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.56
LogP ≤ 52.93
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1S,2S)-1,3-dihydroxy-1-phenylpropan-2-yl]-4-phenylpiperidine-2-carboxamide
CID 140659220
N-[(1R,2S)-1,3-dihydroxy-1-phenylpropan-2-yl]-4-[2-(4-methylcyclohexyl)ethyl]piperidine-2-carboxamide
CID 140659217
cis-(1R,3S)-N-[(1S,2S)-1,3-dihydroxy-1-phenylpropan-2-yl]-3-phenylcyclohexane-1-carboxamide
CID 159352897
N-[(1R)-2-hydroxy-1-phenylethyl]pyrrolidine-2-carboxamide
CID 107863240
N-[1-(4-aminophenyl)-1,3-dihydroxypropan-2-yl]cyclohexanecarboxamide
CID 54852807
(3S)-3-phenyl-3-[[(2S,3R,4R,5S)-2,3,4,6-tetrahydroxy-5-[[(2S)-pyrrolidine-2-carbonyl]amino]hexanoyl]amino]propanoic acid
CID 11080670
(2S)-N-[(S)-hydroxy(phenyl)methyl]pyrrolidine-2-carboxamide
CID 101392822
N-(1,3-dihydroxy-1-phenylpropan-2-yl)acetamide
CID 11735943
N-[(1R)-1-phenylethyl]azepane-2-carboxamide
CID 78996687
N-[cyclopropyl(phenyl)methyl]azepane-2-carboxamide
CID 64564390
(2S)-N-benzhydrylpyrrolidine-2-carboxamide
CID 10663256
N-[(1S)-1-phenylethyl]piperidine-2-carboxamide
CID 15445575

Frequently Asked Questions

What is the IUPAC name of (5R)-2-(cyclohexylmethyl)-N-[(1R,2R)-1,3-dihydroxy-1-phenylpropan-2-yl]-6-azaspiro[2.5]octane-5-carboxamide?
The IUPAC name of (5R)-2-(cyclohexylmethyl)-N-[(1R,2R)-1,3-dihydroxy-1-phenylpropan-2-yl]-6-azaspiro[2.5]octane-5-carboxamide (CID 163548102) is (5R)-2-(cyclohexylmethyl)-N-[(1R,2R)-1,3-dihydroxy-1-phenylpropan-2-yl]-6-azaspiro[2.5]octane-5-carboxamide.
What is the SMILES notation for (5R)-2-(cyclohexylmethyl)-N-[(1R,2R)-1,3-dihydroxy-1-phenylpropan-2-yl]-6-azaspiro[2.5]octane-5-carboxamide?
The canonical SMILES for (5R)-2-(cyclohexylmethyl)-N-[(1R,2R)-1,3-dihydroxy-1-phenylpropan-2-yl]-6-azaspiro[2.5]octane-5-carboxamide is O=C(N[C@H](CO)[C@H](O)c1ccccc1)[C@H]1CC2(CCN1)CC2CC1CCCCC1.
What is the InChIKey of (5R)-2-(cyclohexylmethyl)-N-[(1R,2R)-1,3-dihydroxy-1-phenylpropan-2-yl]-6-azaspiro[2.5]octane-5-carboxamide?
The InChIKey is FGTQSGKMTLLAFJ-RXTVISKSSA-N. The full InChI is InChI=1S/C24H36N2O3/c27-16-21(22(28)18-9-5-2-6-10-18)26-23(29)20-15-24(11-12-25-20)14-19(24)13-17-7-3-1-4-8-17/h2,5-6,9-10,17,19-22,25,27-28H,1,3-4,7-8,11-16H2,(H,26,29)/t19?,20-,21-,22-,24?/m1/s1.
What are the key properties of (5R)-2-(cyclohexylmethyl)-N-[(1R,2R)-1,3-dihydroxy-1-phenylpropan-2-yl]-6-azaspiro[2.5]octane-5-carboxamide?
(5R)-2-(cyclohexylmethyl)-N-[(1R,2R)-1,3-dihydroxy-1-phenylpropan-2-yl]-6-azaspiro[2.5]octane-5-carboxamide has a molecular weight of 400.56 g/mol, XLogP of 2.93, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-2-(cyclohexylmethyl)-N-[(1R,2R)-1,3-dihydroxy-1-phenylpropan-2-yl]-6-azaspiro[2.5]octane-5-carboxamide is sourced from PubChem (CID 163548102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).