2-methyl-N-[4-[[[2-(4-phenoxyphenoxy)acetyl]amino]methyl]phenyl]propanamide

C25H26N2O4 — CID 55509837

IUPAC2-methyl-N-[4-[[[2-(4-phenoxyphenoxy)acetyl]amino]methyl]phenyl]propanamide
SMILESCC(C)C(=O)Nc1ccc(CNC(=O)COc2ccc(Oc3ccccc3)cc2)cc1
InChIInChI=1S/C25H26N2O4/c1-18(2)25(29)27-20-10-8-19(9-11-20)16-26-24(28)17-30-21-12-14-23(15-13-21)31-22-6-4-3-5-7-22/h3-15,18H,16-17H2,1-2H3,(H,26,28)(H,27,29)
InChIKeyGJFRDUMVTSWCQJ-UHFFFAOYSA-N
MW418.49 g/mol
LogP4.77
Rot. Bonds9

About 2-methyl-N-[4-[[[2-(4-phenoxyphenoxy)acetyl]amino]methyl]phenyl]propanamide

2-methyl-N-[4-[[[2-(4-phenoxyphenoxy)acetyl]amino]methyl]phenyl]propanamide (PubChem CID 55509837) has the molecular formula C25H26N2O4 and a molecular weight of 418.49 g/mol. Its IUPAC name is 2-methyl-N-[4-[[[2-(4-phenoxyphenoxy)acetyl]amino]methyl]phenyl]propanamide.

Molecular Properties

Compound Name2-methyl-N-[4-[[[2-(4-phenoxyphenoxy)acetyl]amino]methyl]phenyl]propanamide
PubChem CID55509837
Molecular FormulaC25H26N2O4
Molecular Weight418.49 g/mol
Exact Mass418.19
IUPAC Name2-methyl-N-[4-[[[2-(4-phenoxyphenoxy)acetyl]amino]methyl]phenyl]propanamide
SMILESCC(C)C(=O)Nc1ccc(CNC(=O)COc2ccc(Oc3ccccc3)cc2)cc1
InChIInChI=1S/C25H26N2O4/c1-18(2)25(29)27-20-10-8-19(9-11-20)16-26-24(28)17-30-21-12-14-23(15-13-21)31-22-6-4-3-5-7-22/h3-15,18H,16-17H2,1-2H3,(H,26,28)(H,27,29)
InChIKeyGJFRDUMVTSWCQJ-UHFFFAOYSA-N
XLogP4.77
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.49
LogP ≤ 54.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-phenoxy-N-[(4-propan-2-yloxyphenyl)methyl]acetamide
CID 28633501
N-(4-phenoxyphenyl)-2-(4-propan-2-ylphenoxy)acetamide
CID 1320918
2-phenoxy-N-[[4-(propan-2-yloxymethyl)phenyl]methyl]acetamide
CID 47043812
N-[[4-(2-methylpropanoylamino)phenyl]methyl]-6-phenoxypyridine-3-carboxamide
CID 78888482
N-[(4-methoxyphenyl)methyl]-2-(3-phenoxyphenoxy)acetamide
CID 2681736
2-(4-acetamidophenoxy)-N-(4-phenoxyphenyl)acetamide
CID 2471722
N-[(2-methoxyphenyl)methyl]-2-(4-phenoxyphenoxy)acetamide
CID 7610854
2-(4-methoxyphenoxy)-N-(4-phenoxyphenyl)acetamide
CID 833180
2-methyl-N-[2-(4-phenoxyphenyl)ethyl]propanamide
CID 22953723
N-benzyl-2-[4-(3-methylbutoxy)phenoxy]acetamide
CID 4732905
N-[[4-[(dimethylamino)methyl]phenyl]methyl]-2-phenoxyacetamide
CID 9194458
N-[(4-hydroxy-3-methoxyphenyl)methyl]-2-(4-phenoxyphenoxy)acetamide
CID 55638373

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[4-[[[2-(4-phenoxyphenoxy)acetyl]amino]methyl]phenyl]propanamide?
The IUPAC name of 2-methyl-N-[4-[[[2-(4-phenoxyphenoxy)acetyl]amino]methyl]phenyl]propanamide (CID 55509837) is 2-methyl-N-[4-[[[2-(4-phenoxyphenoxy)acetyl]amino]methyl]phenyl]propanamide.
What is the SMILES notation for 2-methyl-N-[4-[[[2-(4-phenoxyphenoxy)acetyl]amino]methyl]phenyl]propanamide?
The canonical SMILES for 2-methyl-N-[4-[[[2-(4-phenoxyphenoxy)acetyl]amino]methyl]phenyl]propanamide is CC(C)C(=O)Nc1ccc(CNC(=O)COc2ccc(Oc3ccccc3)cc2)cc1.
What is the InChIKey of 2-methyl-N-[4-[[[2-(4-phenoxyphenoxy)acetyl]amino]methyl]phenyl]propanamide?
The InChIKey is GJFRDUMVTSWCQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N2O4/c1-18(2)25(29)27-20-10-8-19(9-11-20)16-26-24(28)17-30-21-12-14-23(15-13-21)31-22-6-4-3-5-7-22/h3-15,18H,16-17H2,1-2H3,(H,26,28)(H,27,29).
What are the key properties of 2-methyl-N-[4-[[[2-(4-phenoxyphenoxy)acetyl]amino]methyl]phenyl]propanamide?
2-methyl-N-[4-[[[2-(4-phenoxyphenoxy)acetyl]amino]methyl]phenyl]propanamide has a molecular weight of 418.49 g/mol, XLogP of 4.77, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[4-[[[2-(4-phenoxyphenoxy)acetyl]amino]methyl]phenyl]propanamide is sourced from PubChem (CID 55509837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).