N-[[(1S,2R)-2-hydroxycyclohexyl]methyl]-2-methylbenzamide

C15H21NO2 — CID 70846071

IUPACN-[[(1S,2R)-2-hydroxycyclohexyl]methyl]-2-methylbenzamide
SMILESCc1ccccc1C(=O)NC[C@@H]1CCCC[C@H]1O
InChIInChI=1S/C15H21NO2/c1-11-6-2-4-8-13(11)15(18)16-10-12-7-3-5-9-14(12)17/h2,4,6,8,12,14,17H,3,5,7,9-10H2,1H3,(H,16,18)/t12-,14+/m0/s1
InChIKeyMLDWZEORVQIVBS-GXTWGEPZSA-N
MW247.34 g/mol
LogP2.28
Rot. Bonds3

About N-[[(1S,2R)-2-hydroxycyclohexyl]methyl]-2-methylbenzamide

N-[[(1S,2R)-2-hydroxycyclohexyl]methyl]-2-methylbenzamide (PubChem CID 70846071) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is N-[[(1S,2R)-2-hydroxycyclohexyl]methyl]-2-methylbenzamide.

Molecular Properties

Compound NameN-[[(1S,2R)-2-hydroxycyclohexyl]methyl]-2-methylbenzamide
PubChem CID70846071
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC NameN-[[(1S,2R)-2-hydroxycyclohexyl]methyl]-2-methylbenzamide
SMILESCc1ccccc1C(=O)NC[C@@H]1CCCC[C@H]1O
InChIInChI=1S/C15H21NO2/c1-11-6-2-4-8-13(11)15(18)16-10-12-7-3-5-9-14(12)17/h2,4,6,8,12,14,17H,3,5,7,9-10H2,1H3,(H,16,18)/t12-,14+/m0/s1
InChIKeyMLDWZEORVQIVBS-GXTWGEPZSA-N
XLogP2.28
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2-hydroxycyclopentyl)methyl]-2-iodo-3-methylbenzamide
CID 103696159
N-[(2-chlorocyclopentyl)methyl]-2-methylbenzamide
CID 114303000
3-hydroxy-N-[(2-hydroxycyclohexyl)methyl]-2-methylbenzamide
CID 82828909
N-[[(1R,9aS)-1,2,3,4,5,6,7,8,9,9a-decahydroquinolizin-5-ium-1-yl]methyl]-2-methylbenzamide
CID 7120208
N-[[(1R,2S)-2-hydroxycyclohexyl]methyl]-2-sulfanylidene-1H-pyridine-3-carboxamide
CID 99701691
N-[(2-hydroxycyclohexyl)methyl]-1-methylindole-3-carboxamide
CID 64911107
2-bromo-N-[(2-bromocyclohexyl)methyl]-3-methylbenzamide
CID 114024074
3-hydroxy-N-[(2-hydroxycyclohexyl)methyl]-4-methylbenzamide
CID 64929504
N-[(2-hydroxycyclohexyl)methyl]-2,3-dihydro-1,4-benzodioxine-5-carboxamide
CID 64911942
N-[2-(cyclohexanecarbonylamino)ethyl]-2-methylbenzamide
CID 108538982
N-[2-(cyclopentylamino)-2-oxoethyl]-2-methylbenzamide
CID 18106161
N-[[(3S,4S)-3-hydroxy-1-(1-methylpyrrole-2-carbonyl)piperidin-4-yl]methyl]-2-methylbenzamide
CID 56897452

Frequently Asked Questions

What is the IUPAC name of N-[[(1S,2R)-2-hydroxycyclohexyl]methyl]-2-methylbenzamide?
The IUPAC name of N-[[(1S,2R)-2-hydroxycyclohexyl]methyl]-2-methylbenzamide (CID 70846071) is N-[[(1S,2R)-2-hydroxycyclohexyl]methyl]-2-methylbenzamide.
What is the SMILES notation for N-[[(1S,2R)-2-hydroxycyclohexyl]methyl]-2-methylbenzamide?
The canonical SMILES for N-[[(1S,2R)-2-hydroxycyclohexyl]methyl]-2-methylbenzamide is Cc1ccccc1C(=O)NC[C@@H]1CCCC[C@H]1O.
What is the InChIKey of N-[[(1S,2R)-2-hydroxycyclohexyl]methyl]-2-methylbenzamide?
The InChIKey is MLDWZEORVQIVBS-GXTWGEPZSA-N. The full InChI is InChI=1S/C15H21NO2/c1-11-6-2-4-8-13(11)15(18)16-10-12-7-3-5-9-14(12)17/h2,4,6,8,12,14,17H,3,5,7,9-10H2,1H3,(H,16,18)/t12-,14+/m0/s1.
What are the key properties of N-[[(1S,2R)-2-hydroxycyclohexyl]methyl]-2-methylbenzamide?
N-[[(1S,2R)-2-hydroxycyclohexyl]methyl]-2-methylbenzamide has a molecular weight of 247.34 g/mol, XLogP of 2.28, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(1S,2R)-2-hydroxycyclohexyl]methyl]-2-methylbenzamide is sourced from PubChem (CID 70846071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).