2-[4-[2-oxo-2-[[3-(propan-2-yloxymethyl)phenyl]methylamino]ethoxy]phenyl]acetamide

C21H26N2O4 — CID 48677738

IUPAC2-[4-[2-oxo-2-[[3-(propan-2-yloxymethyl)phenyl]methylamino]ethoxy]phenyl]acetamide
SMILESCC(C)OCc1cccc(CNC(=O)COc2ccc(CC(N)=O)cc2)c1
InChIInChI=1S/C21H26N2O4/c1-15(2)26-13-18-5-3-4-17(10-18)12-23-21(25)14-27-19-8-6-16(7-9-19)11-20(22)24/h3-10,15H,11-14H2,1-2H3,(H2,22,24)(H,23,25)
InChIKeyHLNXHOOOEAQTJQ-UHFFFAOYSA-N
MW370.45 g/mol
LogP2.33
Rot. Bonds10

About 2-[4-[2-oxo-2-[[3-(propan-2-yloxymethyl)phenyl]methylamino]ethoxy]phenyl]acetamide

2-[4-[2-oxo-2-[[3-(propan-2-yloxymethyl)phenyl]methylamino]ethoxy]phenyl]acetamide (PubChem CID 48677738) has the molecular formula C21H26N2O4 and a molecular weight of 370.45 g/mol. Its IUPAC name is 2-[4-[2-oxo-2-[[3-(propan-2-yloxymethyl)phenyl]methylamino]ethoxy]phenyl]acetamide.

Molecular Properties

Compound Name2-[4-[2-oxo-2-[[3-(propan-2-yloxymethyl)phenyl]methylamino]ethoxy]phenyl]acetamide
PubChem CID48677738
Molecular FormulaC21H26N2O4
Molecular Weight370.45 g/mol
Exact Mass370.19
IUPAC Name2-[4-[2-oxo-2-[[3-(propan-2-yloxymethyl)phenyl]methylamino]ethoxy]phenyl]acetamide
SMILESCC(C)OCc1cccc(CNC(=O)COc2ccc(CC(N)=O)cc2)c1
InChIInChI=1S/C21H26N2O4/c1-15(2)26-13-18-5-3-4-17(10-18)12-23-21(25)14-27-19-8-6-16(7-9-19)11-20(22)24/h3-10,15H,11-14H2,1-2H3,(H2,22,24)(H,23,25)
InChIKeyHLNXHOOOEAQTJQ-UHFFFAOYSA-N
XLogP2.33
TPSA90.65 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.45
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3,4-dichlorophenoxy)-N-[[3-(propan-2-yloxymethyl)phenyl]methyl]acetamide
CID 55797782
2-phenoxy-N-[[4-(propan-2-yloxymethyl)phenyl]methyl]acetamide
CID 47043812
2-(4-bromophenoxy)-N-[[4-(propan-2-yloxymethyl)phenyl]methyl]acetamide
CID 55748360
4-[2-oxo-2-[[3-(phenylmethoxymethyl)phenyl]methylamino]ethoxy]benzamide
CID 60513976
N-[(3-hydroxyphenyl)methyl]-2-propan-2-yloxyacetamide
CID 112686889
N-[(3-aminophenyl)methyl]-2-propan-2-yloxyacetamide
CID 112601877
4-[2-[(3-methoxyphenyl)methylamino]-2-oxoethoxy]benzamide
CID 7931288
2-(4-methylphenoxy)-N-[(4-propan-2-yloxyphenyl)methyl]acetamide
CID 43911022
2-phenoxy-N-[(4-propan-2-yloxyphenyl)methyl]acetamide
CID 28633501
2-(4-ethylphenoxy)-N-[(3-methoxyphenyl)methyl]acetamide
CID 9495684
2-[4-[2-oxo-3-(propan-2-ylamino)propoxy]phenyl]acetamide
CID 86150201
N-[(3-ethoxyphenyl)methyl]-2-(4-propan-2-ylphenoxy)acetamide
CID 30384331

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-oxo-2-[[3-(propan-2-yloxymethyl)phenyl]methylamino]ethoxy]phenyl]acetamide?
The IUPAC name of 2-[4-[2-oxo-2-[[3-(propan-2-yloxymethyl)phenyl]methylamino]ethoxy]phenyl]acetamide (CID 48677738) is 2-[4-[2-oxo-2-[[3-(propan-2-yloxymethyl)phenyl]methylamino]ethoxy]phenyl]acetamide.
What is the SMILES notation for 2-[4-[2-oxo-2-[[3-(propan-2-yloxymethyl)phenyl]methylamino]ethoxy]phenyl]acetamide?
The canonical SMILES for 2-[4-[2-oxo-2-[[3-(propan-2-yloxymethyl)phenyl]methylamino]ethoxy]phenyl]acetamide is CC(C)OCc1cccc(CNC(=O)COc2ccc(CC(N)=O)cc2)c1.
What is the InChIKey of 2-[4-[2-oxo-2-[[3-(propan-2-yloxymethyl)phenyl]methylamino]ethoxy]phenyl]acetamide?
The InChIKey is HLNXHOOOEAQTJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O4/c1-15(2)26-13-18-5-3-4-17(10-18)12-23-21(25)14-27-19-8-6-16(7-9-19)11-20(22)24/h3-10,15H,11-14H2,1-2H3,(H2,22,24)(H,23,25).
What are the key properties of 2-[4-[2-oxo-2-[[3-(propan-2-yloxymethyl)phenyl]methylamino]ethoxy]phenyl]acetamide?
2-[4-[2-oxo-2-[[3-(propan-2-yloxymethyl)phenyl]methylamino]ethoxy]phenyl]acetamide has a molecular weight of 370.45 g/mol, XLogP of 2.33, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-oxo-2-[[3-(propan-2-yloxymethyl)phenyl]methylamino]ethoxy]phenyl]acetamide is sourced from PubChem (CID 48677738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).