(1R,3R,4S)-4-hydroxy-3-methoxy-N-(1-phenylcyclopropyl)cyclohexane-1-carboxamide

C17H23NO3 — CID 135088329

IUPAC(1R,3R,4S)-4-hydroxy-3-methoxy-N-(1-phenylcyclopropyl)cyclohexane-1-carboxamide
SMILESCO[C@@H]1C[C@H](C(=O)NC2(c3ccccc3)CC2)CC[C@@H]1O
InChIInChI=1S/C17H23NO3/c1-21-15-11-12(7-8-14(15)19)16(20)18-17(9-10-17)13-5-3-2-4-6-13/h2-6,12,14-15,19H,7-11H2,1H3,(H,18,20)/t12-,14+,15-/m1/s1
InChIKeyONCDMEVNHPJKIF-VHDGCEQUSA-N
MW289.38 g/mol
LogP1.97
Rot. Bonds4

About (1R,3R,4S)-4-hydroxy-3-methoxy-N-(1-phenylcyclopropyl)cyclohexane-1-carboxamide

(1R,3R,4S)-4-hydroxy-3-methoxy-N-(1-phenylcyclopropyl)cyclohexane-1-carboxamide (PubChem CID 135088329) has the molecular formula C17H23NO3 and a molecular weight of 289.38 g/mol. Its IUPAC name is (1R,3R,4S)-4-hydroxy-3-methoxy-N-(1-phenylcyclopropyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name(1R,3R,4S)-4-hydroxy-3-methoxy-N-(1-phenylcyclopropyl)cyclohexane-1-carboxamide
PubChem CID135088329
Molecular FormulaC17H23NO3
Molecular Weight289.38 g/mol
Exact Mass289.17
IUPAC Name(1R,3R,4S)-4-hydroxy-3-methoxy-N-(1-phenylcyclopropyl)cyclohexane-1-carboxamide
SMILESCO[C@@H]1C[C@H](C(=O)NC2(c3ccccc3)CC2)CC[C@@H]1O
InChIInChI=1S/C17H23NO3/c1-21-15-11-12(7-8-14(15)19)16(20)18-17(9-10-17)13-5-3-2-4-6-13/h2-6,12,14-15,19H,7-11H2,1H3,(H,18,20)/t12-,14+,15-/m1/s1
InChIKeyONCDMEVNHPJKIF-VHDGCEQUSA-N
XLogP1.97
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1R,3R,4S)-4-hydroxy-3-methoxy-N-(1-phenylcyclopropyl)cyclohexane-1-carboxamide?
The IUPAC name of (1R,3R,4S)-4-hydroxy-3-methoxy-N-(1-phenylcyclopropyl)cyclohexane-1-carboxamide (CID 135088329) is (1R,3R,4S)-4-hydroxy-3-methoxy-N-(1-phenylcyclopropyl)cyclohexane-1-carboxamide.
What is the SMILES notation for (1R,3R,4S)-4-hydroxy-3-methoxy-N-(1-phenylcyclopropyl)cyclohexane-1-carboxamide?
The canonical SMILES for (1R,3R,4S)-4-hydroxy-3-methoxy-N-(1-phenylcyclopropyl)cyclohexane-1-carboxamide is CO[C@@H]1C[C@H](C(=O)NC2(c3ccccc3)CC2)CC[C@@H]1O.
What is the InChIKey of (1R,3R,4S)-4-hydroxy-3-methoxy-N-(1-phenylcyclopropyl)cyclohexane-1-carboxamide?
The InChIKey is ONCDMEVNHPJKIF-VHDGCEQUSA-N. The full InChI is InChI=1S/C17H23NO3/c1-21-15-11-12(7-8-14(15)19)16(20)18-17(9-10-17)13-5-3-2-4-6-13/h2-6,12,14-15,19H,7-11H2,1H3,(H,18,20)/t12-,14+,15-/m1/s1.
What are the key properties of (1R,3R,4S)-4-hydroxy-3-methoxy-N-(1-phenylcyclopropyl)cyclohexane-1-carboxamide?
(1R,3R,4S)-4-hydroxy-3-methoxy-N-(1-phenylcyclopropyl)cyclohexane-1-carboxamide has a molecular weight of 289.38 g/mol, XLogP of 1.97, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,3R,4S)-4-hydroxy-3-methoxy-N-(1-phenylcyclopropyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 135088329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).