cis-(1S,3R)-3-hydroxy-N-(2-hydroxyethyl)-N-[(2-methylphenyl)methyl]cyclohexane-1-carboxamide

C17H25NO3 — CID 91773233

IUPACcis-(1S,3R)-3-hydroxy-N-(2-hydroxyethyl)-N-[(2-methylphenyl)methyl]cyclohexane-1-carboxamide
SMILESCc1ccccc1CN(CCO)C(=O)[C@H]1CCC[C@@H](O)C1
InChIInChI=1S/C17H25NO3/c1-13-5-2-3-6-15(13)12-18(9-10-19)17(21)14-7-4-8-16(20)11-14/h2-3,5-6,14,16,19-20H,4,7-12H2,1H3/t14-,16+/m0/s1
InChIKeyRJDHXOILRKRQLM-GOEBONIOSA-N
MW291.39 g/mol
LogP1.87
Rot. Bonds5

About cis-(1S,3R)-3-hydroxy-N-(2-hydroxyethyl)-N-[(2-methylphenyl)methyl]cyclohexane-1-carboxamide

cis-(1S,3R)-3-hydroxy-N-(2-hydroxyethyl)-N-[(2-methylphenyl)methyl]cyclohexane-1-carboxamide (PubChem CID 91773233) has the molecular formula C17H25NO3 and a molecular weight of 291.39 g/mol. Its IUPAC name is cis-(1S,3R)-3-hydroxy-N-(2-hydroxyethyl)-N-[(2-methylphenyl)methyl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Namecis-(1S,3R)-3-hydroxy-N-(2-hydroxyethyl)-N-[(2-methylphenyl)methyl]cyclohexane-1-carboxamide
PubChem CID91773233
Molecular FormulaC17H25NO3
Molecular Weight291.39 g/mol
Exact Mass291.18
IUPAC Namecis-(1S,3R)-3-hydroxy-N-(2-hydroxyethyl)-N-[(2-methylphenyl)methyl]cyclohexane-1-carboxamide
SMILESCc1ccccc1CN(CCO)C(=O)[C@H]1CCC[C@@H](O)C1
InChIInChI=1S/C17H25NO3/c1-13-5-2-3-6-15(13)12-18(9-10-19)17(21)14-7-4-8-16(20)11-14/h2-3,5-6,14,16,19-20H,4,7-12H2,1H3/t14-,16+/m0/s1
InChIKeyRJDHXOILRKRQLM-GOEBONIOSA-N
XLogP1.87
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

cis-(1S,3R)-N-[(2-fluorophenyl)methyl]-3-hydroxy-N-(2-hydroxyethyl)cyclohexane-1-carboxamide
CID 91774938
cis-(1R,3S)-3-[2-hydroxyethyl-[(2-methylphenyl)methyl]carbamoyl]cyclopentane-1-carboxylic acid
CID 121494451
trans-(1S,3S)-3-hydroxy-N-[(4-methoxyphenyl)methyl]-N-[(2-methylphenyl)methyl]cyclohexane-1-carboxamide
CID 91789090
N-benzyl-N-(2-hydroxyethyl)-3-methylcyclohexane-1-carboxamide
CID 111477096
trans-(1S,3S)-N-[(4-chlorophenyl)methyl]-3-hydroxy-N-(3-hydroxypropyl)cyclohexane-1-carboxamide
CID 91759896
N-cyclopentyl-N-(2-hydroxyethyl)-2-(2-methylphenyl)acetamide
CID 54994021
(2S)-N-(2-methoxyethyl)-1-methyl-N-[(2-methylphenyl)methyl]azepane-2-carboxamide
CID 97205692
cis-(1R,3S)-3-amino-N-[(2-chlorophenyl)methyl]-N-(2-methoxyethyl)cyclohexane-1-carboxamide;hydrochloride
CID 154910645
cis-(1R,3S)-3-hydroxy-N-[2-[(2-methylphenyl)methylsulfanyl]ethyl]cyclohexane-1-carboxamide
CID 133267041
trans-(1R,3R)-3-hydroxy-N-methyl-N-[(4-phenylphenyl)methyl]cyclohexane-1-carboxamide
CID 133267652
cis-(1S,3R)-3-hydroxy-N-[2-(4-methoxyphenyl)ethyl]-N-(pyridin-2-ylmethyl)cyclohexane-1-carboxamide
CID 91835660
N-[(2-aminophenyl)methyl]-N-propylcyclopentanecarboxamide
CID 43459851

Frequently Asked Questions

What is the IUPAC name of cis-(1S,3R)-3-hydroxy-N-(2-hydroxyethyl)-N-[(2-methylphenyl)methyl]cyclohexane-1-carboxamide?
The IUPAC name of cis-(1S,3R)-3-hydroxy-N-(2-hydroxyethyl)-N-[(2-methylphenyl)methyl]cyclohexane-1-carboxamide (CID 91773233) is cis-(1S,3R)-3-hydroxy-N-(2-hydroxyethyl)-N-[(2-methylphenyl)methyl]cyclohexane-1-carboxamide.
What is the SMILES notation for cis-(1S,3R)-3-hydroxy-N-(2-hydroxyethyl)-N-[(2-methylphenyl)methyl]cyclohexane-1-carboxamide?
The canonical SMILES for cis-(1S,3R)-3-hydroxy-N-(2-hydroxyethyl)-N-[(2-methylphenyl)methyl]cyclohexane-1-carboxamide is Cc1ccccc1CN(CCO)C(=O)[C@H]1CCC[C@@H](O)C1.
What is the InChIKey of cis-(1S,3R)-3-hydroxy-N-(2-hydroxyethyl)-N-[(2-methylphenyl)methyl]cyclohexane-1-carboxamide?
The InChIKey is RJDHXOILRKRQLM-GOEBONIOSA-N. The full InChI is InChI=1S/C17H25NO3/c1-13-5-2-3-6-15(13)12-18(9-10-19)17(21)14-7-4-8-16(20)11-14/h2-3,5-6,14,16,19-20H,4,7-12H2,1H3/t14-,16+/m0/s1.
What are the key properties of cis-(1S,3R)-3-hydroxy-N-(2-hydroxyethyl)-N-[(2-methylphenyl)methyl]cyclohexane-1-carboxamide?
cis-(1S,3R)-3-hydroxy-N-(2-hydroxyethyl)-N-[(2-methylphenyl)methyl]cyclohexane-1-carboxamide has a molecular weight of 291.39 g/mol, XLogP of 1.87, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,3R)-3-hydroxy-N-(2-hydroxyethyl)-N-[(2-methylphenyl)methyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 91773233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).