N-[3-(hydroxymethyl)phenyl]-2-[(1S,3R)-3-methylcyclohexyl]oxyacetamide

C16H23NO3 — CID 97249076

IUPACN-[3-(hydroxymethyl)phenyl]-2-[(1S,3R)-3-methylcyclohexyl]oxyacetamide
SMILESC[C@@H]1CCC[C@H](OCC(=O)Nc2cccc(CO)c2)C1
InChIInChI=1S/C16H23NO3/c1-12-4-2-7-15(8-12)20-11-16(19)17-14-6-3-5-13(9-14)10-18/h3,5-6,9,12,15,18H,2,4,7-8,10-11H2,1H3,(H,17,19)/t12-,15+/m1/s1
InChIKeyYGBVHYZFHRJIDI-DOMZBBRYSA-N
MW277.36 g/mol
LogP2.71
Rot. Bonds5

About N-[3-(hydroxymethyl)phenyl]-2-[(1S,3R)-3-methylcyclohexyl]oxyacetamide

N-[3-(hydroxymethyl)phenyl]-2-[(1S,3R)-3-methylcyclohexyl]oxyacetamide (PubChem CID 97249076) has the molecular formula C16H23NO3 and a molecular weight of 277.36 g/mol. Its IUPAC name is N-[3-(hydroxymethyl)phenyl]-2-[(1S,3R)-3-methylcyclohexyl]oxyacetamide.

Molecular Properties

Compound NameN-[3-(hydroxymethyl)phenyl]-2-[(1S,3R)-3-methylcyclohexyl]oxyacetamide
PubChem CID97249076
Molecular FormulaC16H23NO3
Molecular Weight277.36 g/mol
Exact Mass277.17
IUPAC NameN-[3-(hydroxymethyl)phenyl]-2-[(1S,3R)-3-methylcyclohexyl]oxyacetamide
SMILESC[C@@H]1CCC[C@H](OCC(=O)Nc2cccc(CO)c2)C1
InChIInChI=1S/C16H23NO3/c1-12-4-2-7-15(8-12)20-11-16(19)17-14-6-3-5-13(9-14)10-18/h3,5-6,9,12,15,18H,2,4,7-8,10-11H2,1H3,(H,17,19)/t12-,15+/m1/s1
InChIKeyYGBVHYZFHRJIDI-DOMZBBRYSA-N
XLogP2.71
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 ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-hydroxy-N-[3-[(3-methylcyclohexyl)oxymethyl]phenyl]acetamide
CID 75437260
2-(cyclopropylmethylamino)-N-[3-[(3-methylcyclohexyl)oxymethyl]phenyl]acetamide
CID 119754463
2-tert-butylsulfanyl-N-[3-[(3-methylcyclohexyl)oxymethyl]phenyl]acetamide
CID 60599967
4-amino-N-[3-[(3-methylcyclohexyl)oxymethyl]phenyl]pentanamide;hydrochloride
CID 120561478
N-[3-(aminomethyl)phenyl]-2-(3,4-dimethylcyclohexyl)oxyacetamide
CID 64744330
N-[3-[(3-methylcyclohexyl)oxymethyl]phenyl]-2-(4-nitrophenoxy)acetamide
CID 60599997
4-amino-3-methoxy-N-[3-[(3-methylcyclohexyl)oxymethyl]phenyl]butanamide
CID 120590544
N-[3-[(3-methylcyclohexyl)oxymethyl]phenyl]azepane-1-carboxamide
CID 71883147
N-(3-amino-2-methylphenyl)-2-(3-methylcyclohexyl)oxyacetamide
CID 43127290
N-[2-[(1S)-1-hydroxyethyl]phenyl]-2-[(1R,3R)-3-methylcyclohexyl]oxyacetamide
CID 100597841
4-(methoxymethyl)-N-[3-[(3-methylcyclohexyl)oxymethyl]phenyl]piperidine-4-carboxamide;hydrochloride
CID 120626279
(2S)-2-[[2-[(1S,3R)-3-methylcyclohexyl]oxyacetyl]amino]-3-phenylpropanamide
CID 95624769

Frequently Asked Questions

What is the IUPAC name of N-[3-(hydroxymethyl)phenyl]-2-[(1S,3R)-3-methylcyclohexyl]oxyacetamide?
The IUPAC name of N-[3-(hydroxymethyl)phenyl]-2-[(1S,3R)-3-methylcyclohexyl]oxyacetamide (CID 97249076) is N-[3-(hydroxymethyl)phenyl]-2-[(1S,3R)-3-methylcyclohexyl]oxyacetamide.
What is the SMILES notation for N-[3-(hydroxymethyl)phenyl]-2-[(1S,3R)-3-methylcyclohexyl]oxyacetamide?
The canonical SMILES for N-[3-(hydroxymethyl)phenyl]-2-[(1S,3R)-3-methylcyclohexyl]oxyacetamide is C[C@@H]1CCC[C@H](OCC(=O)Nc2cccc(CO)c2)C1.
What is the InChIKey of N-[3-(hydroxymethyl)phenyl]-2-[(1S,3R)-3-methylcyclohexyl]oxyacetamide?
The InChIKey is YGBVHYZFHRJIDI-DOMZBBRYSA-N. The full InChI is InChI=1S/C16H23NO3/c1-12-4-2-7-15(8-12)20-11-16(19)17-14-6-3-5-13(9-14)10-18/h3,5-6,9,12,15,18H,2,4,7-8,10-11H2,1H3,(H,17,19)/t12-,15+/m1/s1.
What are the key properties of N-[3-(hydroxymethyl)phenyl]-2-[(1S,3R)-3-methylcyclohexyl]oxyacetamide?
N-[3-(hydroxymethyl)phenyl]-2-[(1S,3R)-3-methylcyclohexyl]oxyacetamide has a molecular weight of 277.36 g/mol, XLogP of 2.71, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(hydroxymethyl)phenyl]-2-[(1S,3R)-3-methylcyclohexyl]oxyacetamide is sourced from PubChem (CID 97249076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).