(1R,2S,5R)-N-[(2R)-1-hydroxy-3-(4-hydroxyphenyl)propan-2-yl]-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide

C20H31NO3 — CID 59992260

IUPAC(1R,2S,5R)-N-[(2R)-1-hydroxy-3-(4-hydroxyphenyl)propan-2-yl]-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide
SMILESCC(C)[C@@H]1CC[C@@H](C)C[C@H]1C(=O)N[C@@H](CO)Cc1ccc(O)cc1
InChIInChI=1S/C20H31NO3/c1-13(2)18-9-4-14(3)10-19(18)20(24)21-16(12-22)11-15-5-7-17(23)8-6-15/h5-8,13-14,16,18-19,22-23H,4,9-12H2,1-3H3,(H,21,24)/t14-,16-,18+,19-/m1/s1
InChIKeyGYKFGMDCAYCOJR-SKWUIDRYSA-N
MW333.47 g/mol
LogP3.12
Rot. Bonds6

About (1R,2S,5R)-N-[(2R)-1-hydroxy-3-(4-hydroxyphenyl)propan-2-yl]-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide

(1R,2S,5R)-N-[(2R)-1-hydroxy-3-(4-hydroxyphenyl)propan-2-yl]-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide (PubChem CID 59992260) has the molecular formula C20H31NO3 and a molecular weight of 333.47 g/mol. Its IUPAC name is (1R,2S,5R)-N-[(2R)-1-hydroxy-3-(4-hydroxyphenyl)propan-2-yl]-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide.

Molecular Properties

Compound Name(1R,2S,5R)-N-[(2R)-1-hydroxy-3-(4-hydroxyphenyl)propan-2-yl]-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide
PubChem CID59992260
Molecular FormulaC20H31NO3
Molecular Weight333.47 g/mol
Exact Mass333.23
IUPAC Name(1R,2S,5R)-N-[(2R)-1-hydroxy-3-(4-hydroxyphenyl)propan-2-yl]-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide
SMILESCC(C)[C@@H]1CC[C@@H](C)C[C@H]1C(=O)N[C@@H](CO)Cc1ccc(O)cc1
InChIInChI=1S/C20H31NO3/c1-13(2)18-9-4-14(3)10-19(18)20(24)21-16(12-22)11-15-5-7-17(23)8-6-15/h5-8,13-14,16,18-19,22-23H,4,9-12H2,1-3H3,(H,21,24)/t14-,16-,18+,19-/m1/s1
InChIKeyGYKFGMDCAYCOJR-SKWUIDRYSA-N
XLogP3.12
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.47
LogP ≤ 53.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

[(2R)-1-[[(2S)-1-[[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexanecarbonyl]amino]-3-phenylpropan-2-yl]amino]-1-oxopropan-2-yl]carbamic acid
CID 135367396
N-benzyl-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide
CID 21079958
N-benzyl-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide;ethane
CID 91604695
(1R,2S,5R)-N-[(1S,2R)-1-hydroxy-1-phenylpropan-2-yl]-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide
CID 59992313
N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-3-methylcyclohexane-1-carboxamide
CID 164537987
(1R,2S,5R)-5-methyl-2-propan-2-yl-N-(1-pyridin-2-ylpropan-2-yl)cyclohexane-1-carboxamide
CID 67284066
(1R,2S,5R)-N-[2-(3-hydroxyphenyl)ethyl]-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide
CID 59992196
2-[[(2R)-1-hydroxy-3-phenylpropan-2-yl]carbamoyl]cyclopropane-1-carboxylic acid
CID 114010079
5-methyl-N'-phenyl-2-propan-2-ylcyclohexane-1-carbohydrazide
CID 175475904
(1R,2S,5R)-N,5-dimethyl-2-propan-2-ylcyclohexane-1-carboxamide
CID 58330084
5-methyl-N-(2-phenylethyl)-2-propan-2-ylcyclohexane-1-carboxamide
CID 68625601
(1R,2S,5R)-N-[2-(4-hydroxy-3-methoxyphenyl)ethyl]-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide
CID 59992202

Frequently Asked Questions

What is the IUPAC name of (1R,2S,5R)-N-[(2R)-1-hydroxy-3-(4-hydroxyphenyl)propan-2-yl]-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide?
The IUPAC name of (1R,2S,5R)-N-[(2R)-1-hydroxy-3-(4-hydroxyphenyl)propan-2-yl]-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide (CID 59992260) is (1R,2S,5R)-N-[(2R)-1-hydroxy-3-(4-hydroxyphenyl)propan-2-yl]-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide.
What is the SMILES notation for (1R,2S,5R)-N-[(2R)-1-hydroxy-3-(4-hydroxyphenyl)propan-2-yl]-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide?
The canonical SMILES for (1R,2S,5R)-N-[(2R)-1-hydroxy-3-(4-hydroxyphenyl)propan-2-yl]-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide is CC(C)[C@@H]1CC[C@@H](C)C[C@H]1C(=O)N[C@@H](CO)Cc1ccc(O)cc1.
What is the InChIKey of (1R,2S,5R)-N-[(2R)-1-hydroxy-3-(4-hydroxyphenyl)propan-2-yl]-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide?
The InChIKey is GYKFGMDCAYCOJR-SKWUIDRYSA-N. The full InChI is InChI=1S/C20H31NO3/c1-13(2)18-9-4-14(3)10-19(18)20(24)21-16(12-22)11-15-5-7-17(23)8-6-15/h5-8,13-14,16,18-19,22-23H,4,9-12H2,1-3H3,(H,21,24)/t14-,16-,18+,19-/m1/s1.
What are the key properties of (1R,2S,5R)-N-[(2R)-1-hydroxy-3-(4-hydroxyphenyl)propan-2-yl]-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide?
(1R,2S,5R)-N-[(2R)-1-hydroxy-3-(4-hydroxyphenyl)propan-2-yl]-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide has a molecular weight of 333.47 g/mol, XLogP of 3.12, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S,5R)-N-[(2R)-1-hydroxy-3-(4-hydroxyphenyl)propan-2-yl]-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide is sourced from PubChem (CID 59992260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).