cis-(1R,2S)-2-hydroxy-N-(2-phenylethyl)cyclohexane-1-carboxamide

C15H21NO2 — CID 13313986

IUPACcis-(1R,2S)-2-hydroxy-N-(2-phenylethyl)cyclohexane-1-carboxamide
SMILESO=C(NCCc1ccccc1)[C@@H]1CCCC[C@@H]1O
InChIInChI=1S/C15H21NO2/c17-14-9-5-4-8-13(14)15(18)16-11-10-12-6-2-1-3-7-12/h1-3,6-7,13-14,17H,4-5,8-11H2,(H,16,18)/t13-,14+/m1/s1
InChIKeyTYMVRYNPIPFENS-KGLIPLIRSA-N
MW247.34 g/mol
LogP1.90
Rot. Bonds4

About cis-(1R,2S)-2-hydroxy-N-(2-phenylethyl)cyclohexane-1-carboxamide

cis-(1R,2S)-2-hydroxy-N-(2-phenylethyl)cyclohexane-1-carboxamide (PubChem CID 13313986) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is cis-(1R,2S)-2-hydroxy-N-(2-phenylethyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Namecis-(1R,2S)-2-hydroxy-N-(2-phenylethyl)cyclohexane-1-carboxamide
PubChem CID13313986
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC Namecis-(1R,2S)-2-hydroxy-N-(2-phenylethyl)cyclohexane-1-carboxamide
SMILESO=C(NCCc1ccccc1)[C@@H]1CCCC[C@@H]1O
InChIInChI=1S/C15H21NO2/c17-14-9-5-4-8-13(14)15(18)16-11-10-12-6-2-1-3-7-12/h1-3,6-7,13-14,17H,4-5,8-11H2,(H,16,18)/t13-,14+/m1/s1
InChIKeyTYMVRYNPIPFENS-KGLIPLIRSA-N
XLogP1.90
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

trans-(1R,2R)-2-(2-phenylethylcarbamoyl)cyclohexane-1-carboxylic acid
CID 795950
(3R,4R)-3-N,4-N-bis(2-phenylethyl)pyrrolidine-3,4-dicarboxamide
CID 154961382
1-N-cycloheptyl-2-N-(2-phenylethyl)cyclopropane-1,2-dicarboxamide
CID 109137355
trans-(1S,2S)-2-(3-phenylpropylcarbamoyl)cyclohexane-1-carboxylate
CID 2165135
cis-(1R,2S)-2-(4-phenylbutylcarbamoyl)cyclohexane-1-carboxylic acid
CID 7034638
6-(2-phenylethylcarbamoyl)cyclohex-3-ene-1-carboxylic acid
CID 2900767
1-N-(2-phenylethyl)-2-N-propylcyclopropane-1,2-dicarboxamide
CID 109130457
(1S,6S)-3,4-dimethyl-6-(2-phenylethylcarbamoyl)cyclohex-3-ene-1-carboxylic acid
CID 841445
cis-(1S,2R)-2-[2-(4-chlorophenyl)ethylcarbamoyl]cyclohexane-1-carboxylic acid
CID 1265526
2-hydroxy-N-(2-thiophen-3-ylethyl)cyclopentane-1-carboxamide
CID 110015235
cis-(1S,2R)-2-(2-pyridin-4-ylethylcarbamoyl)cyclohexane-1-carboxylic acid
CID 713934
2-amino-N-(3-phenylpropyl)cyclopentane-1-carboxamide
CID 64823369

Frequently Asked Questions

What is the IUPAC name of cis-(1R,2S)-2-hydroxy-N-(2-phenylethyl)cyclohexane-1-carboxamide?
The IUPAC name of cis-(1R,2S)-2-hydroxy-N-(2-phenylethyl)cyclohexane-1-carboxamide (CID 13313986) is cis-(1R,2S)-2-hydroxy-N-(2-phenylethyl)cyclohexane-1-carboxamide.
What is the SMILES notation for cis-(1R,2S)-2-hydroxy-N-(2-phenylethyl)cyclohexane-1-carboxamide?
The canonical SMILES for cis-(1R,2S)-2-hydroxy-N-(2-phenylethyl)cyclohexane-1-carboxamide is O=C(NCCc1ccccc1)[C@@H]1CCCC[C@@H]1O.
What is the InChIKey of cis-(1R,2S)-2-hydroxy-N-(2-phenylethyl)cyclohexane-1-carboxamide?
The InChIKey is TYMVRYNPIPFENS-KGLIPLIRSA-N. The full InChI is InChI=1S/C15H21NO2/c17-14-9-5-4-8-13(14)15(18)16-11-10-12-6-2-1-3-7-12/h1-3,6-7,13-14,17H,4-5,8-11H2,(H,16,18)/t13-,14+/m1/s1.
What are the key properties of cis-(1R,2S)-2-hydroxy-N-(2-phenylethyl)cyclohexane-1-carboxamide?
cis-(1R,2S)-2-hydroxy-N-(2-phenylethyl)cyclohexane-1-carboxamide has a molecular weight of 247.34 g/mol, XLogP of 1.90, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,2S)-2-hydroxy-N-(2-phenylethyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 13313986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).