N-[(1S,2S)-2-hydroxycyclohexyl]-3-(2-methoxyphenyl)propanamide

C16H23NO3 — CID 104956713

IUPACN-[(1S,2S)-2-hydroxycyclohexyl]-3-(2-methoxyphenyl)propanamide
SMILESCOc1ccccc1CCC(=O)N[C@H]1CCCC[C@@H]1O
InChIInChI=1S/C16H23NO3/c1-20-15-9-5-2-6-12(15)10-11-16(19)17-13-7-3-4-8-14(13)18/h2,5-6,9,13-14,18H,3-4,7-8,10-11H2,1H3,(H,17,19)/t13-,14-/m0/s1
InChIKeyORODEAPEIMQAOR-KBPBESRZSA-N
MW277.36 g/mol
LogP2.05
Rot. Bonds5

About N-[(1S,2S)-2-hydroxycyclohexyl]-3-(2-methoxyphenyl)propanamide

N-[(1S,2S)-2-hydroxycyclohexyl]-3-(2-methoxyphenyl)propanamide (PubChem CID 104956713) has the molecular formula C16H23NO3 and a molecular weight of 277.36 g/mol. Its IUPAC name is N-[(1S,2S)-2-hydroxycyclohexyl]-3-(2-methoxyphenyl)propanamide.

Molecular Properties

Compound NameN-[(1S,2S)-2-hydroxycyclohexyl]-3-(2-methoxyphenyl)propanamide
PubChem CID104956713
Molecular FormulaC16H23NO3
Molecular Weight277.36 g/mol
Exact Mass277.17
IUPAC NameN-[(1S,2S)-2-hydroxycyclohexyl]-3-(2-methoxyphenyl)propanamide
SMILESCOc1ccccc1CCC(=O)N[C@H]1CCCC[C@@H]1O
InChIInChI=1S/C16H23NO3/c1-20-15-9-5-2-6-12(15)10-11-16(19)17-13-7-3-4-8-14(13)18/h2,5-6,9,13-14,18H,3-4,7-8,10-11H2,1H3,(H,17,19)/t13-,14-/m0/s1
InChIKeyORODEAPEIMQAOR-KBPBESRZSA-N
XLogP2.05
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.36
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(aminomethyl)cyclohexyl]-3-(2-methoxyphenyl)propanamide;hydrochloride
CID 119609653
3-(2-methoxyphenyl)-N-(2-methylpiperidin-3-yl)propanamide
CID 120573713
N-(2-aminocyclohexyl)-2-(2-methoxyphenyl)acetamide
CID 55149839
N-[2-(hydroxymethyl)cyclohexyl]-2-(2-methoxyphenyl)acetamide
CID 103798304
6-[(2-methoxyphenyl)methylamino]-N-[(1R,2R)-2-[6-[(2-methoxyphenyl)methylamino]hexanoylamino]cyclohexyl]hexanamide
CID 25149358
N-[(3R,4S)-4-(2-amino-2-oxoethoxy)oxan-3-yl]-3-(2-methoxyphenyl)propanamide
CID 91765241
N-(2-adamantyl)-3-(2-methoxyphenyl)propanamide
CID 17461561
N-cyclohexyl-3-[2-(2-methoxyphenyl)ethylamino]propanamide
CID 109013977
N-[(3R,4R)-3-hydroxy-1-pyrazin-2-ylpiperidin-4-yl]-3-(2-methoxyphenyl)propanamide
CID 91838196
N-cyclopentyl-3-[5-[2-(2-methoxyphenyl)ethyl]-1,3,4-oxadiazol-2-yl]propanamide
CID 42217184
3-(2,3-dimethoxyphenyl)-N-[(1R,2R,3R)-2,3-dimethylcyclohexyl]propanamide
CID 51723970
N-[(1R,2R)-2-hydroxycyclohexyl]-2,6-dimethoxybenzamide
CID 104928008

Frequently Asked Questions

What is the IUPAC name of N-[(1S,2S)-2-hydroxycyclohexyl]-3-(2-methoxyphenyl)propanamide?
The IUPAC name of N-[(1S,2S)-2-hydroxycyclohexyl]-3-(2-methoxyphenyl)propanamide (CID 104956713) is N-[(1S,2S)-2-hydroxycyclohexyl]-3-(2-methoxyphenyl)propanamide.
What is the SMILES notation for N-[(1S,2S)-2-hydroxycyclohexyl]-3-(2-methoxyphenyl)propanamide?
The canonical SMILES for N-[(1S,2S)-2-hydroxycyclohexyl]-3-(2-methoxyphenyl)propanamide is COc1ccccc1CCC(=O)N[C@H]1CCCC[C@@H]1O.
What is the InChIKey of N-[(1S,2S)-2-hydroxycyclohexyl]-3-(2-methoxyphenyl)propanamide?
The InChIKey is ORODEAPEIMQAOR-KBPBESRZSA-N. The full InChI is InChI=1S/C16H23NO3/c1-20-15-9-5-2-6-12(15)10-11-16(19)17-13-7-3-4-8-14(13)18/h2,5-6,9,13-14,18H,3-4,7-8,10-11H2,1H3,(H,17,19)/t13-,14-/m0/s1.
What are the key properties of N-[(1S,2S)-2-hydroxycyclohexyl]-3-(2-methoxyphenyl)propanamide?
N-[(1S,2S)-2-hydroxycyclohexyl]-3-(2-methoxyphenyl)propanamide has a molecular weight of 277.36 g/mol, XLogP of 2.05, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,2S)-2-hydroxycyclohexyl]-3-(2-methoxyphenyl)propanamide is sourced from PubChem (CID 104956713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).