2-(2-chlorophenoxy)-N-[(2-hydroxyphenyl)methyl]-N-(oxolan-2-ylmethyl)acetamide

C20H22ClNO4 — CID 78798881

IUPAC2-(2-chlorophenoxy)-N-[(2-hydroxyphenyl)methyl]-N-(oxolan-2-ylmethyl)acetamide
SMILESO=C(COc1ccccc1Cl)N(Cc1ccccc1O)CC1CCCO1
InChIInChI=1S/C20H22ClNO4/c21-17-8-2-4-10-19(17)26-14-20(24)22(13-16-7-5-11-25-16)12-15-6-1-3-9-18(15)23/h1-4,6,8-10,16,23H,5,7,11-14H2
InChIKeyXMUVKCNHSNDIPU-UHFFFAOYSA-N
MW375.85 g/mol
LogP3.63
Rot. Bonds7

About 2-(2-chlorophenoxy)-N-[(2-hydroxyphenyl)methyl]-N-(oxolan-2-ylmethyl)acetamide

2-(2-chlorophenoxy)-N-[(2-hydroxyphenyl)methyl]-N-(oxolan-2-ylmethyl)acetamide (PubChem CID 78798881) has the molecular formula C20H22ClNO4 and a molecular weight of 375.85 g/mol. Its IUPAC name is 2-(2-chlorophenoxy)-N-[(2-hydroxyphenyl)methyl]-N-(oxolan-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(2-chlorophenoxy)-N-[(2-hydroxyphenyl)methyl]-N-(oxolan-2-ylmethyl)acetamide
PubChem CID78798881
Molecular FormulaC20H22ClNO4
Molecular Weight375.85 g/mol
Exact Mass375.12
IUPAC Name2-(2-chlorophenoxy)-N-[(2-hydroxyphenyl)methyl]-N-(oxolan-2-ylmethyl)acetamide
SMILESO=C(COc1ccccc1Cl)N(Cc1ccccc1O)CC1CCCO1
InChIInChI=1S/C20H22ClNO4/c21-17-8-2-4-10-19(17)26-14-20(24)22(13-16-7-5-11-25-16)12-15-6-1-3-9-18(15)23/h1-4,6,8-10,16,23H,5,7,11-14H2
InChIKeyXMUVKCNHSNDIPU-UHFFFAOYSA-N
XLogP3.63
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.85
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

N-[(2-hydroxyphenyl)methyl]-N-(oxolan-2-ylmethyl)-2-phenoxyacetamide
CID 60520005
2-(2,4-dichlorophenoxy)-N-[(2-fluorophenyl)methyl]-N-(oxolan-2-ylmethyl)acetamide
CID 19120019
N-[(2,4-dichlorophenyl)methyl]-2-(2,3-dimethylphenoxy)-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 40871171
N-[(2-fluorophenyl)methyl]-N-(oxolan-2-ylmethyl)-2-phenoxyacetamide
CID 19120015
N-[(2-hydroxyphenyl)methyl]-3,5-dimethyl-N-(oxolan-2-ylmethyl)benzamide
CID 60520041
N-(1,3-benzothiazol-2-yl)-2-(2-chlorophenoxy)-N-(oxolan-2-ylmethyl)acetamide
CID 4813469
2-chloro-N-[(2-fluorophenyl)methyl]-N-(oxolan-2-ylmethyl)benzamide
CID 19120008
N-[2-[(2-hydroxyphenyl)methyl-(oxolan-2-ylmethyl)amino]-2-oxoethyl]-2-methylbenzamide
CID 78798898
2-(4-bromophenoxy)-N-[(2-fluorophenyl)methyl]-N-(oxolan-2-ylmethyl)acetamide
CID 19120014
2-(cyclopropylmethylamino)-N-[(2-methoxyphenyl)methyl]-N-(oxolan-2-ylmethyl)acetamide
CID 119729703
N-[(2,4-dichlorophenyl)methyl]-N-[[(2R)-oxolan-2-yl]methyl]-2-(2,3,4,5,6-pentafluorophenoxy)acetamide
CID 40871167
2-(4-chlorophenoxy)-N-[(4-chlorophenyl)methyl]-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 40850277

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenoxy)-N-[(2-hydroxyphenyl)methyl]-N-(oxolan-2-ylmethyl)acetamide?
The IUPAC name of 2-(2-chlorophenoxy)-N-[(2-hydroxyphenyl)methyl]-N-(oxolan-2-ylmethyl)acetamide (CID 78798881) is 2-(2-chlorophenoxy)-N-[(2-hydroxyphenyl)methyl]-N-(oxolan-2-ylmethyl)acetamide.
What is the SMILES notation for 2-(2-chlorophenoxy)-N-[(2-hydroxyphenyl)methyl]-N-(oxolan-2-ylmethyl)acetamide?
The canonical SMILES for 2-(2-chlorophenoxy)-N-[(2-hydroxyphenyl)methyl]-N-(oxolan-2-ylmethyl)acetamide is O=C(COc1ccccc1Cl)N(Cc1ccccc1O)CC1CCCO1.
What is the InChIKey of 2-(2-chlorophenoxy)-N-[(2-hydroxyphenyl)methyl]-N-(oxolan-2-ylmethyl)acetamide?
The InChIKey is XMUVKCNHSNDIPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22ClNO4/c21-17-8-2-4-10-19(17)26-14-20(24)22(13-16-7-5-11-25-16)12-15-6-1-3-9-18(15)23/h1-4,6,8-10,16,23H,5,7,11-14H2.
What are the key properties of 2-(2-chlorophenoxy)-N-[(2-hydroxyphenyl)methyl]-N-(oxolan-2-ylmethyl)acetamide?
2-(2-chlorophenoxy)-N-[(2-hydroxyphenyl)methyl]-N-(oxolan-2-ylmethyl)acetamide has a molecular weight of 375.85 g/mol, XLogP of 3.63, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenoxy)-N-[(2-hydroxyphenyl)methyl]-N-(oxolan-2-ylmethyl)acetamide is sourced from PubChem (CID 78798881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).