2-[5-chloro-2-ethoxy-4-[(2-methylpropylamino)methyl]phenoxy]-N-phenylacetamide

C21H27ClN2O3 — CID 2215153

IUPAC2-[5-chloro-2-ethoxy-4-[(2-methylpropylamino)methyl]phenoxy]-N-phenylacetamide
SMILESCCOc1cc(CNCC(C)C)c(Cl)cc1OCC(=O)Nc1ccccc1
InChIInChI=1S/C21H27ClN2O3/c1-4-26-19-10-16(13-23-12-15(2)3)18(22)11-20(19)27-14-21(25)24-17-8-6-5-7-9-17/h5-11,15,23H,4,12-14H2,1-3H3,(H,24,25)
InChIKeyWUDZSJPQQPDYJF-UHFFFAOYSA-N
MW390.91 g/mol
LogP4.50
Rot. Bonds10

About 2-[5-chloro-2-ethoxy-4-[(2-methylpropylamino)methyl]phenoxy]-N-phenylacetamide

2-[5-chloro-2-ethoxy-4-[(2-methylpropylamino)methyl]phenoxy]-N-phenylacetamide (PubChem CID 2215153) has the molecular formula C21H27ClN2O3 and a molecular weight of 390.91 g/mol. Its IUPAC name is 2-[5-chloro-2-ethoxy-4-[(2-methylpropylamino)methyl]phenoxy]-N-phenylacetamide.

Molecular Properties

Compound Name2-[5-chloro-2-ethoxy-4-[(2-methylpropylamino)methyl]phenoxy]-N-phenylacetamide
PubChem CID2215153
Molecular FormulaC21H27ClN2O3
Molecular Weight390.91 g/mol
Exact Mass390.17
IUPAC Name2-[5-chloro-2-ethoxy-4-[(2-methylpropylamino)methyl]phenoxy]-N-phenylacetamide
SMILESCCOc1cc(CNCC(C)C)c(Cl)cc1OCC(=O)Nc1ccccc1
InChIInChI=1S/C21H27ClN2O3/c1-4-26-19-10-16(13-23-12-15(2)3)18(22)11-20(19)27-14-21(25)24-17-8-6-5-7-9-17/h5-11,15,23H,4,12-14H2,1-3H3,(H,24,25)
InChIKeyWUDZSJPQQPDYJF-UHFFFAOYSA-N
XLogP4.50
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.91
LogP ≤ 54.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[5-chloro-2-ethoxy-4-[(2-methylpropylamino)methyl]phenoxy]-N-phenylacetamide?
The IUPAC name of 2-[5-chloro-2-ethoxy-4-[(2-methylpropylamino)methyl]phenoxy]-N-phenylacetamide (CID 2215153) is 2-[5-chloro-2-ethoxy-4-[(2-methylpropylamino)methyl]phenoxy]-N-phenylacetamide.
What is the SMILES notation for 2-[5-chloro-2-ethoxy-4-[(2-methylpropylamino)methyl]phenoxy]-N-phenylacetamide?
The canonical SMILES for 2-[5-chloro-2-ethoxy-4-[(2-methylpropylamino)methyl]phenoxy]-N-phenylacetamide is CCOc1cc(CNCC(C)C)c(Cl)cc1OCC(=O)Nc1ccccc1.
What is the InChIKey of 2-[5-chloro-2-ethoxy-4-[(2-methylpropylamino)methyl]phenoxy]-N-phenylacetamide?
The InChIKey is WUDZSJPQQPDYJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27ClN2O3/c1-4-26-19-10-16(13-23-12-15(2)3)18(22)11-20(19)27-14-21(25)24-17-8-6-5-7-9-17/h5-11,15,23H,4,12-14H2,1-3H3,(H,24,25).
What are the key properties of 2-[5-chloro-2-ethoxy-4-[(2-methylpropylamino)methyl]phenoxy]-N-phenylacetamide?
2-[5-chloro-2-ethoxy-4-[(2-methylpropylamino)methyl]phenoxy]-N-phenylacetamide has a molecular weight of 390.91 g/mol, XLogP of 4.50, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-chloro-2-ethoxy-4-[(2-methylpropylamino)methyl]phenoxy]-N-phenylacetamide is sourced from PubChem (CID 2215153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).