(1R)-N-[(2S)-2-hydroxy-3-[(4-methoxyphenyl)methoxy]propyl]cyclohex-3-ene-1-carboxamide

C18H25NO4 — CID 94822861

IUPAC(1R)-N-[(2S)-2-hydroxy-3-[(4-methoxyphenyl)methoxy]propyl]cyclohex-3-ene-1-carboxamide
SMILESCOc1ccc(COC[C@@H](O)CNC(=O)[C@H]2CC=CCC2)cc1
InChIInChI=1S/C18H25NO4/c1-22-17-9-7-14(8-10-17)12-23-13-16(20)11-19-18(21)15-5-3-2-4-6-15/h2-3,7-10,15-16,20H,4-6,11-13H2,1H3,(H,19,21)/t15-,16-/m0/s1
InChIKeyILYOIIYASSCEMU-HOTGVXAUSA-N
MW319.40 g/mol
LogP2.05
Rot. Bonds8

About (1R)-N-[(2S)-2-hydroxy-3-[(4-methoxyphenyl)methoxy]propyl]cyclohex-3-ene-1-carboxamide

(1R)-N-[(2S)-2-hydroxy-3-[(4-methoxyphenyl)methoxy]propyl]cyclohex-3-ene-1-carboxamide (PubChem CID 94822861) has the molecular formula C18H25NO4 and a molecular weight of 319.40 g/mol. Its IUPAC name is (1R)-N-[(2S)-2-hydroxy-3-[(4-methoxyphenyl)methoxy]propyl]cyclohex-3-ene-1-carboxamide.

Molecular Properties

Compound Name(1R)-N-[(2S)-2-hydroxy-3-[(4-methoxyphenyl)methoxy]propyl]cyclohex-3-ene-1-carboxamide
PubChem CID94822861
Molecular FormulaC18H25NO4
Molecular Weight319.40 g/mol
Exact Mass319.18
IUPAC Name(1R)-N-[(2S)-2-hydroxy-3-[(4-methoxyphenyl)methoxy]propyl]cyclohex-3-ene-1-carboxamide
SMILESCOc1ccc(COC[C@@H](O)CNC(=O)[C@H]2CC=CCC2)cc1
InChIInChI=1S/C18H25NO4/c1-22-17-9-7-14(8-10-17)12-23-13-16(20)11-19-18(21)15-5-3-2-4-6-15/h2-3,7-10,15-16,20H,4-6,11-13H2,1H3,(H,19,21)/t15-,16-/m0/s1
InChIKeyILYOIIYASSCEMU-HOTGVXAUSA-N
XLogP2.05
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.40
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze (1R)-N-[(2S)-2-hydroxy-3-[(4-methoxyphenyl)methoxy]propyl]cyclohex-3-ene-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

N-[2-hydroxy-3-[(4-methoxyphenyl)methoxy]propyl]cyclohexanecarboxamide
CID 51094307
N-[(2R)-2-hydroxy-3-[(4-methoxyphenyl)methoxy]propyl]-2-(4-methylphenyl)acetamide
CID 94814604
N-[(2R)-2-hydroxy-3-[(4-methoxyphenyl)methoxy]propyl]-5-methylpyrazine-2-carboxamide
CID 94815352
4-ethyl-N-[(2S)-2-hydroxy-3-[(4-methoxyphenyl)methoxy]propyl]benzamide
CID 95344832
1-[(2R)-2-hydroxy-3-[(4-methoxyphenyl)methoxy]propyl]-3-(2-methoxyethyl)urea
CID 95158318
N'-(cyclohex-3-ene-1-carbonyl)-4-methoxybenzohydrazide
CID 2843839
N-[2-hydroxy-3-[(4-methoxyphenyl)methoxy]propyl]-2,5-dimethoxybenzamide
CID 51126519
N-[[1-(4-methoxyphenyl)cyclopentyl]methyl]cyclohex-3-ene-1-carboxamide
CID 71796620
N'-[2-(4-methoxyanilino)acetyl]cyclohex-3-ene-1-carbohydrazide
CID 18140071
N-(3-hydroxy-4-methoxybutyl)cyclohex-3-ene-1-carboxamide
CID 103876947
N-[2-hydroxy-3-[(4-methoxyphenyl)methoxy]propyl]pyridine-3-carboxamide
CID 51094308
N-[(2R)-2-hydroxy-3-[(4-methoxyphenyl)methoxy]propyl]-3-methyl-1,2-oxazole-5-carboxamide
CID 94813443

Frequently Asked Questions

What is the IUPAC name of (1R)-N-[(2S)-2-hydroxy-3-[(4-methoxyphenyl)methoxy]propyl]cyclohex-3-ene-1-carboxamide?
The IUPAC name of (1R)-N-[(2S)-2-hydroxy-3-[(4-methoxyphenyl)methoxy]propyl]cyclohex-3-ene-1-carboxamide (CID 94822861) is (1R)-N-[(2S)-2-hydroxy-3-[(4-methoxyphenyl)methoxy]propyl]cyclohex-3-ene-1-carboxamide.
What is the SMILES notation for (1R)-N-[(2S)-2-hydroxy-3-[(4-methoxyphenyl)methoxy]propyl]cyclohex-3-ene-1-carboxamide?
The canonical SMILES for (1R)-N-[(2S)-2-hydroxy-3-[(4-methoxyphenyl)methoxy]propyl]cyclohex-3-ene-1-carboxamide is COc1ccc(COC[C@@H](O)CNC(=O)[C@H]2CC=CCC2)cc1.
What is the InChIKey of (1R)-N-[(2S)-2-hydroxy-3-[(4-methoxyphenyl)methoxy]propyl]cyclohex-3-ene-1-carboxamide?
The InChIKey is ILYOIIYASSCEMU-HOTGVXAUSA-N. The full InChI is InChI=1S/C18H25NO4/c1-22-17-9-7-14(8-10-17)12-23-13-16(20)11-19-18(21)15-5-3-2-4-6-15/h2-3,7-10,15-16,20H,4-6,11-13H2,1H3,(H,19,21)/t15-,16-/m0/s1.
What are the key properties of (1R)-N-[(2S)-2-hydroxy-3-[(4-methoxyphenyl)methoxy]propyl]cyclohex-3-ene-1-carboxamide?
(1R)-N-[(2S)-2-hydroxy-3-[(4-methoxyphenyl)methoxy]propyl]cyclohex-3-ene-1-carboxamide has a molecular weight of 319.40 g/mol, XLogP of 2.05, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-N-[(2S)-2-hydroxy-3-[(4-methoxyphenyl)methoxy]propyl]cyclohex-3-ene-1-carboxamide is sourced from PubChem (CID 94822861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).