N-[(2S,4R,6R)-2-(3-chloro-4-hydroxyphenyl)-6-cyclohexyloxan-4-yl]acetamide

C19H26ClNO3 — CID 50965302

IUPACN-[(2S,4R,6R)-2-(3-chloro-4-hydroxyphenyl)-6-cyclohexyloxan-4-yl]acetamide
SMILESCC(=O)N[C@H]1C[C@@H](c2ccc(O)c(Cl)c2)O[C@@H](C2CCCCC2)C1
InChIInChI=1S/C19H26ClNO3/c1-12(22)21-15-10-18(13-5-3-2-4-6-13)24-19(11-15)14-7-8-17(23)16(20)9-14/h7-9,13,15,18-19,23H,2-6,10-11H2,1H3,(H,21,22)/t15-,18-,19+/m1/s1
InChIKeyKTMXCNBCPCJDME-LZQZEXGQSA-N
MW351.87 g/mol
LogP4.35
Rot. Bonds3

About N-[(2S,4R,6R)-2-(3-chloro-4-hydroxyphenyl)-6-cyclohexyloxan-4-yl]acetamide

N-[(2S,4R,6R)-2-(3-chloro-4-hydroxyphenyl)-6-cyclohexyloxan-4-yl]acetamide (PubChem CID 50965302) has the molecular formula C19H26ClNO3 and a molecular weight of 351.87 g/mol. Its IUPAC name is N-[(2S,4R,6R)-2-(3-chloro-4-hydroxyphenyl)-6-cyclohexyloxan-4-yl]acetamide.

Molecular Properties

Compound NameN-[(2S,4R,6R)-2-(3-chloro-4-hydroxyphenyl)-6-cyclohexyloxan-4-yl]acetamide
PubChem CID50965302
Molecular FormulaC19H26ClNO3
Molecular Weight351.87 g/mol
Exact Mass351.16
IUPAC NameN-[(2S,4R,6R)-2-(3-chloro-4-hydroxyphenyl)-6-cyclohexyloxan-4-yl]acetamide
SMILESCC(=O)N[C@H]1C[C@@H](c2ccc(O)c(Cl)c2)O[C@@H](C2CCCCC2)C1
InChIInChI=1S/C19H26ClNO3/c1-12(22)21-15-10-18(13-5-3-2-4-6-13)24-19(11-15)14-7-8-17(23)16(20)9-14/h7-9,13,15,18-19,23H,2-6,10-11H2,1H3,(H,21,22)/t15-,18-,19+/m1/s1
InChIKeyKTMXCNBCPCJDME-LZQZEXGQSA-N
XLogP4.35
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.87
LogP ≤ 54.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(2S,4R,6R)-2-(3-chloro-4-hydroxyphenyl)-6-cyclohexyloxan-4-yl]acetamide?
The IUPAC name of N-[(2S,4R,6R)-2-(3-chloro-4-hydroxyphenyl)-6-cyclohexyloxan-4-yl]acetamide (CID 50965302) is N-[(2S,4R,6R)-2-(3-chloro-4-hydroxyphenyl)-6-cyclohexyloxan-4-yl]acetamide.
What is the SMILES notation for N-[(2S,4R,6R)-2-(3-chloro-4-hydroxyphenyl)-6-cyclohexyloxan-4-yl]acetamide?
The canonical SMILES for N-[(2S,4R,6R)-2-(3-chloro-4-hydroxyphenyl)-6-cyclohexyloxan-4-yl]acetamide is CC(=O)N[C@H]1C[C@@H](c2ccc(O)c(Cl)c2)O[C@@H](C2CCCCC2)C1.
What is the InChIKey of N-[(2S,4R,6R)-2-(3-chloro-4-hydroxyphenyl)-6-cyclohexyloxan-4-yl]acetamide?
The InChIKey is KTMXCNBCPCJDME-LZQZEXGQSA-N. The full InChI is InChI=1S/C19H26ClNO3/c1-12(22)21-15-10-18(13-5-3-2-4-6-13)24-19(11-15)14-7-8-17(23)16(20)9-14/h7-9,13,15,18-19,23H,2-6,10-11H2,1H3,(H,21,22)/t15-,18-,19+/m1/s1.
What are the key properties of N-[(2S,4R,6R)-2-(3-chloro-4-hydroxyphenyl)-6-cyclohexyloxan-4-yl]acetamide?
N-[(2S,4R,6R)-2-(3-chloro-4-hydroxyphenyl)-6-cyclohexyloxan-4-yl]acetamide has a molecular weight of 351.87 g/mol, XLogP of 4.35, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S,4R,6R)-2-(3-chloro-4-hydroxyphenyl)-6-cyclohexyloxan-4-yl]acetamide is sourced from PubChem (CID 50965302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).