3-(2-methoxyphenyl)-N-[(1R,2S)-2-[[3-(prop-2-enoxymethyl)piperidin-1-yl]methyl]cyclohexyl]propanamide

C26H40N2O3 — CID 59007423

IUPAC3-(2-methoxyphenyl)-N-[(1R,2S)-2-[[3-(prop-2-enoxymethyl)piperidin-1-yl]methyl]cyclohexyl]propanamide
SMILESC=CCOCC1CCCN(C[C@@H]2CCCC[C@H]2NC(=O)CCc2ccccc2OC)C1
InChIInChI=1S/C26H40N2O3/c1-3-17-31-20-21-9-8-16-28(18-21)19-23-11-4-6-12-24(23)27-26(29)15-14-22-10-5-7-13-25(22)30-2/h3,5,7,10,13,21,23-24H,1,4,6,8-9,11-12,14-20H2,2H3,(H,27,29)/t21?,23-,24+/m0/s1
InChIKeyXZJMEXIVOSCCGE-RPFBHVFUSA-N
MW428.62 g/mol
LogP4.22
Rot. Bonds11

About 3-(2-methoxyphenyl)-N-[(1R,2S)-2-[[3-(prop-2-enoxymethyl)piperidin-1-yl]methyl]cyclohexyl]propanamide

3-(2-methoxyphenyl)-N-[(1R,2S)-2-[[3-(prop-2-enoxymethyl)piperidin-1-yl]methyl]cyclohexyl]propanamide (PubChem CID 59007423) has the molecular formula C26H40N2O3 and a molecular weight of 428.62 g/mol. Its IUPAC name is 3-(2-methoxyphenyl)-N-[(1R,2S)-2-[[3-(prop-2-enoxymethyl)piperidin-1-yl]methyl]cyclohexyl]propanamide.

Molecular Properties

Compound Name3-(2-methoxyphenyl)-N-[(1R,2S)-2-[[3-(prop-2-enoxymethyl)piperidin-1-yl]methyl]cyclohexyl]propanamide
PubChem CID59007423
Molecular FormulaC26H40N2O3
Molecular Weight428.62 g/mol
Exact Mass428.30
IUPAC Name3-(2-methoxyphenyl)-N-[(1R,2S)-2-[[3-(prop-2-enoxymethyl)piperidin-1-yl]methyl]cyclohexyl]propanamide
SMILESC=CCOCC1CCCN(C[C@@H]2CCCC[C@H]2NC(=O)CCc2ccccc2OC)C1
InChIInChI=1S/C26H40N2O3/c1-3-17-31-20-21-9-8-16-28(18-21)19-23-11-4-6-12-24(23)27-26(29)15-14-22-10-5-7-13-25(22)30-2/h3,5,7,10,13,21,23-24H,1,4,6,8-9,11-12,14-20H2,2H3,(H,27,29)/t21?,23-,24+/m0/s1
InChIKeyXZJMEXIVOSCCGE-RPFBHVFUSA-N
XLogP4.22
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.62
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-chloro-N-[(2S)-2-[[3-(prop-2-enoxymethyl)piperidin-1-yl]methyl]cyclohexyl]benzamide
CID 89323535
N-[2-(aminomethyl)cyclohexyl]-3-(2-methoxyphenyl)propanamide;hydrochloride
CID 119609653
N-[(1S,2S)-2-hydroxycyclohexyl]-3-(2-methoxyphenyl)propanamide
CID 104956713
6-imidazol-1-yl-N-[2-[[3-(prop-2-enoxymethyl)piperidin-1-yl]methyl]cyclohexyl]pyridine-3-carboxamide
CID 69039593
N-[2-(hydroxymethyl)cyclohexyl]-2-(2-methoxyphenyl)acetamide
CID 103798304
N'-[[(3S)-1-[2-(2-methoxyphenyl)ethyl]piperidin-3-yl]methyl]-N,N,N'-trimethylbutanediamide
CID 42287360
N'-[[1-[2-(2-methoxyphenyl)ethyl]piperidin-3-yl]methyl]-N,N,N'-trimethylbutanediamide
CID 23723725
3-(2-methoxyphenyl)-N-(2-methylpiperidin-3-yl)propanamide
CID 120573713
N-(2-aminocyclohexyl)-2-(2-methoxyphenyl)acetamide
CID 55149839
N-[[1-[3-(2-methoxyphenyl)propanoyl]piperidin-3-yl]methyl]-2-pyrrolidin-1-ylacetamide
CID 131900813
3-[1-[(2-methoxyphenyl)methyl]piperidin-3-yl]propanamide
CID 75514876
N-[2-(aminomethyl)cyclopentyl]-3-[2-(trifluoromethoxy)phenyl]propanamide
CID 119604035

Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxyphenyl)-N-[(1R,2S)-2-[[3-(prop-2-enoxymethyl)piperidin-1-yl]methyl]cyclohexyl]propanamide?
The IUPAC name of 3-(2-methoxyphenyl)-N-[(1R,2S)-2-[[3-(prop-2-enoxymethyl)piperidin-1-yl]methyl]cyclohexyl]propanamide (CID 59007423) is 3-(2-methoxyphenyl)-N-[(1R,2S)-2-[[3-(prop-2-enoxymethyl)piperidin-1-yl]methyl]cyclohexyl]propanamide.
What is the SMILES notation for 3-(2-methoxyphenyl)-N-[(1R,2S)-2-[[3-(prop-2-enoxymethyl)piperidin-1-yl]methyl]cyclohexyl]propanamide?
The canonical SMILES for 3-(2-methoxyphenyl)-N-[(1R,2S)-2-[[3-(prop-2-enoxymethyl)piperidin-1-yl]methyl]cyclohexyl]propanamide is C=CCOCC1CCCN(C[C@@H]2CCCC[C@H]2NC(=O)CCc2ccccc2OC)C1.
What is the InChIKey of 3-(2-methoxyphenyl)-N-[(1R,2S)-2-[[3-(prop-2-enoxymethyl)piperidin-1-yl]methyl]cyclohexyl]propanamide?
The InChIKey is XZJMEXIVOSCCGE-RPFBHVFUSA-N. The full InChI is InChI=1S/C26H40N2O3/c1-3-17-31-20-21-9-8-16-28(18-21)19-23-11-4-6-12-24(23)27-26(29)15-14-22-10-5-7-13-25(22)30-2/h3,5,7,10,13,21,23-24H,1,4,6,8-9,11-12,14-20H2,2H3,(H,27,29)/t21?,23-,24+/m0/s1.
What are the key properties of 3-(2-methoxyphenyl)-N-[(1R,2S)-2-[[3-(prop-2-enoxymethyl)piperidin-1-yl]methyl]cyclohexyl]propanamide?
3-(2-methoxyphenyl)-N-[(1R,2S)-2-[[3-(prop-2-enoxymethyl)piperidin-1-yl]methyl]cyclohexyl]propanamide has a molecular weight of 428.62 g/mol, XLogP of 4.22, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxyphenyl)-N-[(1R,2S)-2-[[3-(prop-2-enoxymethyl)piperidin-1-yl]methyl]cyclohexyl]propanamide is sourced from PubChem (CID 59007423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).