2-(3-chloro-4-hydroxyphenyl)-N-[(3R,4S)-4-[2-(dimethylamino)-2-oxoethoxy]oxan-3-yl]acetamide

C17H23ClN2O5 — CID 90650186

IUPAC2-(3-chloro-4-hydroxyphenyl)-N-[(3R,4S)-4-[2-(dimethylamino)-2-oxoethoxy]oxan-3-yl]acetamide
SMILESCN(C)C(=O)CO[C@H]1CCOC[C@H]1NC(=O)Cc1ccc(O)c(Cl)c1
InChIInChI=1S/C17H23ClN2O5/c1-20(2)17(23)10-25-15-5-6-24-9-13(15)19-16(22)8-11-3-4-14(21)12(18)7-11/h3-4,7,13,15,21H,5-6,8-10H2,1-2H3,(H,19,22)/t13-,15+/m1/s1
InChIKeyMJAJFLQMKZNELJ-HIFRSBDPSA-N
MW370.83 g/mol
LogP0.97
Rot. Bonds6

About 2-(3-chloro-4-hydroxyphenyl)-N-[(3R,4S)-4-[2-(dimethylamino)-2-oxoethoxy]oxan-3-yl]acetamide

2-(3-chloro-4-hydroxyphenyl)-N-[(3R,4S)-4-[2-(dimethylamino)-2-oxoethoxy]oxan-3-yl]acetamide (PubChem CID 90650186) has the molecular formula C17H23ClN2O5 and a molecular weight of 370.83 g/mol. Its IUPAC name is 2-(3-chloro-4-hydroxyphenyl)-N-[(3R,4S)-4-[2-(dimethylamino)-2-oxoethoxy]oxan-3-yl]acetamide.

Molecular Properties

Compound Name2-(3-chloro-4-hydroxyphenyl)-N-[(3R,4S)-4-[2-(dimethylamino)-2-oxoethoxy]oxan-3-yl]acetamide
PubChem CID90650186
Molecular FormulaC17H23ClN2O5
Molecular Weight370.83 g/mol
Exact Mass370.13
IUPAC Name2-(3-chloro-4-hydroxyphenyl)-N-[(3R,4S)-4-[2-(dimethylamino)-2-oxoethoxy]oxan-3-yl]acetamide
SMILESCN(C)C(=O)CO[C@H]1CCOC[C@H]1NC(=O)Cc1ccc(O)c(Cl)c1
InChIInChI=1S/C17H23ClN2O5/c1-20(2)17(23)10-25-15-5-6-24-9-13(15)19-16(22)8-11-3-4-14(21)12(18)7-11/h3-4,7,13,15,21H,5-6,8-10H2,1-2H3,(H,19,22)/t13-,15+/m1/s1
InChIKeyMJAJFLQMKZNELJ-HIFRSBDPSA-N
XLogP0.97
TPSA88.10 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.83
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-4-hydroxyphenyl)-N-[(3R,4S)-4-[2-(dimethylamino)-2-oxoethoxy]oxan-3-yl]acetamide?
The IUPAC name of 2-(3-chloro-4-hydroxyphenyl)-N-[(3R,4S)-4-[2-(dimethylamino)-2-oxoethoxy]oxan-3-yl]acetamide (CID 90650186) is 2-(3-chloro-4-hydroxyphenyl)-N-[(3R,4S)-4-[2-(dimethylamino)-2-oxoethoxy]oxan-3-yl]acetamide.
What is the SMILES notation for 2-(3-chloro-4-hydroxyphenyl)-N-[(3R,4S)-4-[2-(dimethylamino)-2-oxoethoxy]oxan-3-yl]acetamide?
The canonical SMILES for 2-(3-chloro-4-hydroxyphenyl)-N-[(3R,4S)-4-[2-(dimethylamino)-2-oxoethoxy]oxan-3-yl]acetamide is CN(C)C(=O)CO[C@H]1CCOC[C@H]1NC(=O)Cc1ccc(O)c(Cl)c1.
What is the InChIKey of 2-(3-chloro-4-hydroxyphenyl)-N-[(3R,4S)-4-[2-(dimethylamino)-2-oxoethoxy]oxan-3-yl]acetamide?
The InChIKey is MJAJFLQMKZNELJ-HIFRSBDPSA-N. The full InChI is InChI=1S/C17H23ClN2O5/c1-20(2)17(23)10-25-15-5-6-24-9-13(15)19-16(22)8-11-3-4-14(21)12(18)7-11/h3-4,7,13,15,21H,5-6,8-10H2,1-2H3,(H,19,22)/t13-,15+/m1/s1.
What are the key properties of 2-(3-chloro-4-hydroxyphenyl)-N-[(3R,4S)-4-[2-(dimethylamino)-2-oxoethoxy]oxan-3-yl]acetamide?
2-(3-chloro-4-hydroxyphenyl)-N-[(3R,4S)-4-[2-(dimethylamino)-2-oxoethoxy]oxan-3-yl]acetamide has a molecular weight of 370.83 g/mol, XLogP of 0.97, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-4-hydroxyphenyl)-N-[(3R,4S)-4-[2-(dimethylamino)-2-oxoethoxy]oxan-3-yl]acetamide is sourced from PubChem (CID 90650186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).