2-(4-chlorophenyl)-2-hydroxy-N-[(1R,2S)-2-(3-methoxy-4-prop-2-ynoxyphenyl)cyclohexyl]acetamide

C24H26ClNO4 — CID 87818490

IUPAC2-(4-chlorophenyl)-2-hydroxy-N-[(1R,2S)-2-(3-methoxy-4-prop-2-ynoxyphenyl)cyclohexyl]acetamide
SMILESC#CCOc1ccc([C@@H]2CCCC[C@H]2NC(=O)C(O)c2ccc(Cl)cc2)cc1OC
InChIInChI=1S/C24H26ClNO4/c1-3-14-30-21-13-10-17(15-22(21)29-2)19-6-4-5-7-20(19)26-24(28)23(27)16-8-11-18(25)12-9-16/h1,8-13,15,19-20,23,27H,4-7,14H2,2H3,(H,26,28)/t19-,20+,23?/m0/s1
InChIKeyBSOXPCNHZVNRIU-RCCQNZRSSA-N
MW427.93 g/mol
LogP4.24
Rot. Bonds7

About 2-(4-chlorophenyl)-2-hydroxy-N-[(1R,2S)-2-(3-methoxy-4-prop-2-ynoxyphenyl)cyclohexyl]acetamide

2-(4-chlorophenyl)-2-hydroxy-N-[(1R,2S)-2-(3-methoxy-4-prop-2-ynoxyphenyl)cyclohexyl]acetamide (PubChem CID 87818490) has the molecular formula C24H26ClNO4 and a molecular weight of 427.93 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-2-hydroxy-N-[(1R,2S)-2-(3-methoxy-4-prop-2-ynoxyphenyl)cyclohexyl]acetamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)-2-hydroxy-N-[(1R,2S)-2-(3-methoxy-4-prop-2-ynoxyphenyl)cyclohexyl]acetamide
PubChem CID87818490
Molecular FormulaC24H26ClNO4
Molecular Weight427.93 g/mol
Exact Mass427.16
IUPAC Name2-(4-chlorophenyl)-2-hydroxy-N-[(1R,2S)-2-(3-methoxy-4-prop-2-ynoxyphenyl)cyclohexyl]acetamide
SMILESC#CCOc1ccc([C@@H]2CCCC[C@H]2NC(=O)C(O)c2ccc(Cl)cc2)cc1OC
InChIInChI=1S/C24H26ClNO4/c1-3-14-30-21-13-10-17(15-22(21)29-2)19-6-4-5-7-20(19)26-24(28)23(27)16-8-11-18(25)12-9-16/h1,8-13,15,19-20,23,27H,4-7,14H2,2H3,(H,26,28)/t19-,20+,23?/m0/s1
InChIKeyBSOXPCNHZVNRIU-RCCQNZRSSA-N
XLogP4.24
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.93
LogP ≤ 54.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(3,4-dichlorophenyl)-N-[(1S,2R)-2-(3-methoxy-4-prop-2-ynoxyphenyl)cyclohexyl]-2-prop-2-ynoxyacetamide
CID 87816770
N-[(4-chlorophenyl)methyl]-2-fluoro-3-(3-methoxy-4-prop-2-ynoxyphenyl)propanamide
CID 23087644
N-[2-(3,4-dimethoxyphenyl)cyclohexyl]-4-methoxy-3-(2-methoxyethoxy)benzamide
CID 18406774
2-(4-chlorophenyl)-N-[2-(3-methoxy-4-prop-2-ynoxyphenyl)ethyl]-2-prop-2-ynoxyacetamide
CID 11292824
ethyl 3-[[2-(3,4-dimethoxyphenyl)cyclohexyl]amino]-3-oxopropanoate
CID 69492937
2-cyano-N-[(1R,2R)-2-(3-ethoxy-4-methoxyphenyl)cyclohexyl]-5-pyrrolidin-1-ylpentanamide
CID 70078996
2-(4-bromophenyl)-2-hydroxy-N-[2-(3-methoxy-4-prop-2-ynoxyphenoxy)ethyl]acetamide
CID 142702319
2-(4-chlorophenyl)-N-[2-(3-methoxy-4-prop-2-ynoxyphenyl)ethyl]-2-propan-2-yloxyacetamide
CID 45271214
2-(4-chlorophenyl)-N-[(2R)-2-(3-methoxy-4-prop-2-ynoxyphenoxy)propyl]-2-prop-2-ynoxyacetamide
CID 142702321
3-cyclobutyloxy-N-[2-(3,4-dimethoxyphenyl)cyclohexyl]-4-methoxybenzamide
CID 23117228
N-(2-hydroxyiminocyclohexyl)-3-methoxy-4-prop-2-ynoxybenzamide
CID 59290503
3-(4-chlorophenoxy)-2-hydroxy-N-[2-(3-methoxy-4-prop-2-ynoxyphenyl)ethyl]propanamide
CID 11750051

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-2-hydroxy-N-[(1R,2S)-2-(3-methoxy-4-prop-2-ynoxyphenyl)cyclohexyl]acetamide?
The IUPAC name of 2-(4-chlorophenyl)-2-hydroxy-N-[(1R,2S)-2-(3-methoxy-4-prop-2-ynoxyphenyl)cyclohexyl]acetamide (CID 87818490) is 2-(4-chlorophenyl)-2-hydroxy-N-[(1R,2S)-2-(3-methoxy-4-prop-2-ynoxyphenyl)cyclohexyl]acetamide.
What is the SMILES notation for 2-(4-chlorophenyl)-2-hydroxy-N-[(1R,2S)-2-(3-methoxy-4-prop-2-ynoxyphenyl)cyclohexyl]acetamide?
The canonical SMILES for 2-(4-chlorophenyl)-2-hydroxy-N-[(1R,2S)-2-(3-methoxy-4-prop-2-ynoxyphenyl)cyclohexyl]acetamide is C#CCOc1ccc([C@@H]2CCCC[C@H]2NC(=O)C(O)c2ccc(Cl)cc2)cc1OC.
What is the InChIKey of 2-(4-chlorophenyl)-2-hydroxy-N-[(1R,2S)-2-(3-methoxy-4-prop-2-ynoxyphenyl)cyclohexyl]acetamide?
The InChIKey is BSOXPCNHZVNRIU-RCCQNZRSSA-N. The full InChI is InChI=1S/C24H26ClNO4/c1-3-14-30-21-13-10-17(15-22(21)29-2)19-6-4-5-7-20(19)26-24(28)23(27)16-8-11-18(25)12-9-16/h1,8-13,15,19-20,23,27H,4-7,14H2,2H3,(H,26,28)/t19-,20+,23?/m0/s1.
What are the key properties of 2-(4-chlorophenyl)-2-hydroxy-N-[(1R,2S)-2-(3-methoxy-4-prop-2-ynoxyphenyl)cyclohexyl]acetamide?
2-(4-chlorophenyl)-2-hydroxy-N-[(1R,2S)-2-(3-methoxy-4-prop-2-ynoxyphenyl)cyclohexyl]acetamide has a molecular weight of 427.93 g/mol, XLogP of 4.24, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-2-hydroxy-N-[(1R,2S)-2-(3-methoxy-4-prop-2-ynoxyphenyl)cyclohexyl]acetamide is sourced from PubChem (CID 87818490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).