(1R,3R,4S)-4-hydroxy-3-methoxy-N-[(2-methoxyphenyl)methyl]cyclohexane-1-carboxamide

C16H23NO4 — CID 135102017

IUPAC(1R,3R,4S)-4-hydroxy-3-methoxy-N-[(2-methoxyphenyl)methyl]cyclohexane-1-carboxamide
SMILESCOc1ccccc1CNC(=O)[C@@H]1CC[C@H](O)[C@H](OC)C1
InChIInChI=1S/C16H23NO4/c1-20-14-6-4-3-5-12(14)10-17-16(19)11-7-8-13(18)15(9-11)21-2/h3-6,11,13,15,18H,7-10H2,1-2H3,(H,17,19)/t11-,13+,15-/m1/s1
InChIKeyRNTHSXLARCORRV-OSAQELSMSA-N
MW293.36 g/mol
LogP1.49
Rot. Bonds5

About (1R,3R,4S)-4-hydroxy-3-methoxy-N-[(2-methoxyphenyl)methyl]cyclohexane-1-carboxamide

(1R,3R,4S)-4-hydroxy-3-methoxy-N-[(2-methoxyphenyl)methyl]cyclohexane-1-carboxamide (PubChem CID 135102017) has the molecular formula C16H23NO4 and a molecular weight of 293.36 g/mol. Its IUPAC name is (1R,3R,4S)-4-hydroxy-3-methoxy-N-[(2-methoxyphenyl)methyl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name(1R,3R,4S)-4-hydroxy-3-methoxy-N-[(2-methoxyphenyl)methyl]cyclohexane-1-carboxamide
PubChem CID135102017
Molecular FormulaC16H23NO4
Molecular Weight293.36 g/mol
Exact Mass293.16
IUPAC Name(1R,3R,4S)-4-hydroxy-3-methoxy-N-[(2-methoxyphenyl)methyl]cyclohexane-1-carboxamide
SMILESCOc1ccccc1CNC(=O)[C@@H]1CC[C@H](O)[C@H](OC)C1
InChIInChI=1S/C16H23NO4/c1-20-14-6-4-3-5-12(14)10-17-16(19)11-7-8-13(18)15(9-11)21-2/h3-6,11,13,15,18H,7-10H2,1-2H3,(H,17,19)/t11-,13+,15-/m1/s1
InChIKeyRNTHSXLARCORRV-OSAQELSMSA-N
XLogP1.49
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.36
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (1R,3R,4S)-4-hydroxy-3-methoxy-N-[(2-methoxyphenyl)methyl]cyclohexane-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S,4S)-N-[(2-methoxyphenyl)methyl]-2-methylpiperidine-4-carboxamide
CID 120616660
1-N-[(2-methoxyphenyl)methyl]-4-N-phenylcyclohexane-1,4-dicarboxamide
CID 109148544
4-N-cyclohexyl-1-N-[(2-methoxyphenyl)methyl]cyclohexane-1,4-dicarboxamide
CID 109146102
(1S,3R,4R)-3-amino-4-methoxy-N-[[2-(trifluoromethoxy)phenyl]methyl]cyclohexane-1-carboxamide
CID 155507572
(1R,3R,4S)-4-hydroxy-3-methoxy-N-[(3-methyl-1-benzofuran-2-yl)methyl]cyclohexane-1-carboxamide
CID 135089831
(1R,3R,4S)-N-[(3,5-difluorophenyl)methyl]-4-hydroxy-3-methoxycyclohexane-1-carboxamide
CID 135096509
(1S,3S,4S)-4-amino-N-[(2,3-dimethoxyphenyl)methyl]-3-hydroxycyclohexane-1-carboxamide
CID 155508750
N-[(2-methoxyphenyl)methyl]-1-methylsulfonylpiperidine-4-carboxamide
CID 774752
cis-(1S,3R)-3-[(2-fluoro-3-methoxyphenyl)methylcarbamoyl]cyclopentane-1-carboxylic acid
CID 146137048
4-hydroxy-N-[(2-methoxyphenyl)methyl]pyrrolidine-2-carboxamide
CID 43120719
4-(4-ethylpiperazine-1-carbonyl)-N-[(2-methoxyphenyl)methyl]cyclohexane-1-carboxamide
CID 109147502
cis-(1S,2R)-2-[(2-methoxyphenyl)methylcarbamoyl]cyclohexane-1-carboxylate
CID 6945106

Frequently Asked Questions

What is the IUPAC name of (1R,3R,4S)-4-hydroxy-3-methoxy-N-[(2-methoxyphenyl)methyl]cyclohexane-1-carboxamide?
The IUPAC name of (1R,3R,4S)-4-hydroxy-3-methoxy-N-[(2-methoxyphenyl)methyl]cyclohexane-1-carboxamide (CID 135102017) is (1R,3R,4S)-4-hydroxy-3-methoxy-N-[(2-methoxyphenyl)methyl]cyclohexane-1-carboxamide.
What is the SMILES notation for (1R,3R,4S)-4-hydroxy-3-methoxy-N-[(2-methoxyphenyl)methyl]cyclohexane-1-carboxamide?
The canonical SMILES for (1R,3R,4S)-4-hydroxy-3-methoxy-N-[(2-methoxyphenyl)methyl]cyclohexane-1-carboxamide is COc1ccccc1CNC(=O)[C@@H]1CC[C@H](O)[C@H](OC)C1.
What is the InChIKey of (1R,3R,4S)-4-hydroxy-3-methoxy-N-[(2-methoxyphenyl)methyl]cyclohexane-1-carboxamide?
The InChIKey is RNTHSXLARCORRV-OSAQELSMSA-N. The full InChI is InChI=1S/C16H23NO4/c1-20-14-6-4-3-5-12(14)10-17-16(19)11-7-8-13(18)15(9-11)21-2/h3-6,11,13,15,18H,7-10H2,1-2H3,(H,17,19)/t11-,13+,15-/m1/s1.
What are the key properties of (1R,3R,4S)-4-hydroxy-3-methoxy-N-[(2-methoxyphenyl)methyl]cyclohexane-1-carboxamide?
(1R,3R,4S)-4-hydroxy-3-methoxy-N-[(2-methoxyphenyl)methyl]cyclohexane-1-carboxamide has a molecular weight of 293.36 g/mol, XLogP of 1.49, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,3R,4S)-4-hydroxy-3-methoxy-N-[(2-methoxyphenyl)methyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 135102017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).