4-[2-oxo-2-[[3-(phenylmethoxymethyl)phenyl]methylamino]ethoxy]benzamide

C24H24N2O4 — CID 60513976

IUPAC4-[2-oxo-2-[[3-(phenylmethoxymethyl)phenyl]methylamino]ethoxy]benzamide
SMILESNC(=O)c1ccc(OCC(=O)NCc2cccc(COCc3ccccc3)c2)cc1
InChIInChI=1S/C24H24N2O4/c25-24(28)21-9-11-22(12-10-21)30-17-23(27)26-14-19-7-4-8-20(13-19)16-29-15-18-5-2-1-3-6-18/h1-13H,14-17H2,(H2,25,28)(H,26,27)
InChIKeyJPSQAHGQVKCQRS-UHFFFAOYSA-N
MW404.47 g/mol
LogP3.20
Rot. Bonds10

About 4-[2-oxo-2-[[3-(phenylmethoxymethyl)phenyl]methylamino]ethoxy]benzamide

4-[2-oxo-2-[[3-(phenylmethoxymethyl)phenyl]methylamino]ethoxy]benzamide (PubChem CID 60513976) has the molecular formula C24H24N2O4 and a molecular weight of 404.47 g/mol. Its IUPAC name is 4-[2-oxo-2-[[3-(phenylmethoxymethyl)phenyl]methylamino]ethoxy]benzamide.

Molecular Properties

Compound Name4-[2-oxo-2-[[3-(phenylmethoxymethyl)phenyl]methylamino]ethoxy]benzamide
PubChem CID60513976
Molecular FormulaC24H24N2O4
Molecular Weight404.47 g/mol
Exact Mass404.17
IUPAC Name4-[2-oxo-2-[[3-(phenylmethoxymethyl)phenyl]methylamino]ethoxy]benzamide
SMILESNC(=O)c1ccc(OCC(=O)NCc2cccc(COCc3ccccc3)c2)cc1
InChIInChI=1S/C24H24N2O4/c25-24(28)21-9-11-22(12-10-21)30-17-23(27)26-14-19-7-4-8-20(13-19)16-29-15-18-5-2-1-3-6-18/h1-13H,14-17H2,(H2,25,28)(H,26,27)
InChIKeyJPSQAHGQVKCQRS-UHFFFAOYSA-N
XLogP3.20
TPSA90.65 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.47
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[2-(benzylamino)-2-oxoethoxy]benzamide
CID 7931534
4-[2-[(3-bromophenyl)methylamino]-2-oxoethoxy]benzamide
CID 55665561
4-[2-[(3-methoxyphenyl)methylamino]-2-oxoethoxy]benzamide
CID 7931288
methyl 4-[[[2-(4-carbamoylphenoxy)acetyl]amino]methyl]benzoate
CID 7931566
2-(4-ethylphenoxy)-N-[[3-(furan-2-ylmethoxymethyl)phenyl]methyl]acetamide
CID 55660922
2-[4-[2-oxo-2-[[3-(propan-2-yloxymethyl)phenyl]methylamino]ethoxy]phenyl]acetamide
CID 48677738
3-[[[2-(3-methylphenoxy)acetyl]amino]methyl]benzamide
CID 32636546
N-[3-oxo-3-[[3-(phenylmethoxymethyl)phenyl]methylamino]propyl]benzamide
CID 46465050
N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]-2-(4-phenylmethoxyphenoxy)acetamide
CID 55970132
N-[(4-fluorophenyl)methyl]-2-(4-phenylmethoxyphenoxy)acetamide
CID 7478807
2-(4-chlorophenoxy)-N-[[3-(hydroxymethyl)phenyl]methyl]acetamide
CID 63311483
N-[(3-methoxyphenyl)methyl]-2-(4-phenylphenoxy)acetamide
CID 9495681

Frequently Asked Questions

What is the IUPAC name of 4-[2-oxo-2-[[3-(phenylmethoxymethyl)phenyl]methylamino]ethoxy]benzamide?
The IUPAC name of 4-[2-oxo-2-[[3-(phenylmethoxymethyl)phenyl]methylamino]ethoxy]benzamide (CID 60513976) is 4-[2-oxo-2-[[3-(phenylmethoxymethyl)phenyl]methylamino]ethoxy]benzamide.
What is the SMILES notation for 4-[2-oxo-2-[[3-(phenylmethoxymethyl)phenyl]methylamino]ethoxy]benzamide?
The canonical SMILES for 4-[2-oxo-2-[[3-(phenylmethoxymethyl)phenyl]methylamino]ethoxy]benzamide is NC(=O)c1ccc(OCC(=O)NCc2cccc(COCc3ccccc3)c2)cc1.
What is the InChIKey of 4-[2-oxo-2-[[3-(phenylmethoxymethyl)phenyl]methylamino]ethoxy]benzamide?
The InChIKey is JPSQAHGQVKCQRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2O4/c25-24(28)21-9-11-22(12-10-21)30-17-23(27)26-14-19-7-4-8-20(13-19)16-29-15-18-5-2-1-3-6-18/h1-13H,14-17H2,(H2,25,28)(H,26,27).
What are the key properties of 4-[2-oxo-2-[[3-(phenylmethoxymethyl)phenyl]methylamino]ethoxy]benzamide?
4-[2-oxo-2-[[3-(phenylmethoxymethyl)phenyl]methylamino]ethoxy]benzamide has a molecular weight of 404.47 g/mol, XLogP of 3.20, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-oxo-2-[[3-(phenylmethoxymethyl)phenyl]methylamino]ethoxy]benzamide is sourced from PubChem (CID 60513976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).