2-(4-chlorophenoxy)-N-[[(2R,3R)-2-propan-2-yloxan-3-yl]methyl]acetamide

C17H24ClNO3 — CID 95973535

IUPAC2-(4-chlorophenoxy)-N-[[(2R,3R)-2-propan-2-yloxan-3-yl]methyl]acetamide
SMILESCC(C)[C@H]1OCCC[C@@H]1CNC(=O)COc1ccc(Cl)cc1
InChIInChI=1S/C17H24ClNO3/c1-12(2)17-13(4-3-9-21-17)10-19-16(20)11-22-15-7-5-14(18)6-8-15/h5-8,12-13,17H,3-4,9-11H2,1-2H3,(H,19,20)/t13-,17-/m1/s1
InChIKeyWOEPHVYEGUORTM-CXAGYDPISA-N
MW325.84 g/mol
LogP3.29
Rot. Bonds6

About 2-(4-chlorophenoxy)-N-[[(2R,3R)-2-propan-2-yloxan-3-yl]methyl]acetamide

2-(4-chlorophenoxy)-N-[[(2R,3R)-2-propan-2-yloxan-3-yl]methyl]acetamide (PubChem CID 95973535) has the molecular formula C17H24ClNO3 and a molecular weight of 325.84 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)-N-[[(2R,3R)-2-propan-2-yloxan-3-yl]methyl]acetamide.

Molecular Properties

Compound Name2-(4-chlorophenoxy)-N-[[(2R,3R)-2-propan-2-yloxan-3-yl]methyl]acetamide
PubChem CID95973535
Molecular FormulaC17H24ClNO3
Molecular Weight325.84 g/mol
Exact Mass325.14
IUPAC Name2-(4-chlorophenoxy)-N-[[(2R,3R)-2-propan-2-yloxan-3-yl]methyl]acetamide
SMILESCC(C)[C@H]1OCCC[C@@H]1CNC(=O)COc1ccc(Cl)cc1
InChIInChI=1S/C17H24ClNO3/c1-12(2)17-13(4-3-9-21-17)10-19-16(20)11-22-15-7-5-14(18)6-8-15/h5-8,12-13,17H,3-4,9-11H2,1-2H3,(H,19,20)/t13-,17-/m1/s1
InChIKeyWOEPHVYEGUORTM-CXAGYDPISA-N
XLogP3.29
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.84
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(4-chlorophenoxy)-N-[[(2R,3R)-2-propan-2-yloxan-3-yl]methyl]acetamide with MolForge

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Related Compounds

(2R)-N'-[2-(4-chlorophenoxy)acetyl]oxolane-2-carbohydrazide
CID 40562072
2-(cyclopropylmethylamino)-N-[(2-propan-2-yloxan-3-yl)methyl]acetamide
CID 119819575
2-[4-[(4-chlorophenyl)methyl-methylsulfonylamino]phenoxy]-N-(oxolan-2-ylmethyl)acetamide
CID 43888517
2-(3,4-dichlorophenoxy)-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 2419982
4-amino-N-[(2-propan-2-yloxan-3-yl)methyl]pentanamide;hydrochloride
CID 120564004
2-(4-chlorophenoxy)-N-[4-[[(2R)-oxolan-2-yl]methoxy]phenyl]acetamide
CID 9295205
2-[4-(4-chlorobenzoyl)phenoxy]-N-[(4-hydroxypyrrolidin-3-yl)methyl]acetamide;hydrochloride
CID 120945161
2-(5-fluoro-2-methoxyphenyl)-N-[[(2S,3S)-2-propan-2-yloxan-3-yl]methyl]acetamide
CID 129399228
2-(5-fluoro-2-methoxyphenyl)-N-[[(2R,3S)-2-propan-2-yloxan-3-yl]methyl]acetamide
CID 129399227
2-(5-fluoro-2-methoxyphenyl)-N-[[(2S,3R)-2-propan-2-yloxan-3-yl]methyl]acetamide
CID 129399230
2-(3-methyl-4-propan-2-ylphenoxy)-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 41099396
2-[4-[[(2R)-butan-2-yl]sulfamoyl]phenoxy]-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 1088506

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenoxy)-N-[[(2R,3R)-2-propan-2-yloxan-3-yl]methyl]acetamide?
The IUPAC name of 2-(4-chlorophenoxy)-N-[[(2R,3R)-2-propan-2-yloxan-3-yl]methyl]acetamide (CID 95973535) is 2-(4-chlorophenoxy)-N-[[(2R,3R)-2-propan-2-yloxan-3-yl]methyl]acetamide.
What is the SMILES notation for 2-(4-chlorophenoxy)-N-[[(2R,3R)-2-propan-2-yloxan-3-yl]methyl]acetamide?
The canonical SMILES for 2-(4-chlorophenoxy)-N-[[(2R,3R)-2-propan-2-yloxan-3-yl]methyl]acetamide is CC(C)[C@H]1OCCC[C@@H]1CNC(=O)COc1ccc(Cl)cc1.
What is the InChIKey of 2-(4-chlorophenoxy)-N-[[(2R,3R)-2-propan-2-yloxan-3-yl]methyl]acetamide?
The InChIKey is WOEPHVYEGUORTM-CXAGYDPISA-N. The full InChI is InChI=1S/C17H24ClNO3/c1-12(2)17-13(4-3-9-21-17)10-19-16(20)11-22-15-7-5-14(18)6-8-15/h5-8,12-13,17H,3-4,9-11H2,1-2H3,(H,19,20)/t13-,17-/m1/s1.
What are the key properties of 2-(4-chlorophenoxy)-N-[[(2R,3R)-2-propan-2-yloxan-3-yl]methyl]acetamide?
2-(4-chlorophenoxy)-N-[[(2R,3R)-2-propan-2-yloxan-3-yl]methyl]acetamide has a molecular weight of 325.84 g/mol, XLogP of 3.29, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenoxy)-N-[[(2R,3R)-2-propan-2-yloxan-3-yl]methyl]acetamide is sourced from PubChem (CID 95973535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).