2-phenylmethoxy-N-[[3-[4-[(2-phenylmethoxyacetyl)amino]phenoxy]phenyl]methyl]acetamide

C31H30N2O5 — CID 11420847

IUPAC2-phenylmethoxy-N-[[3-[4-[(2-phenylmethoxyacetyl)amino]phenoxy]phenyl]methyl]acetamide
SMILESO=C(COCc1ccccc1)NCc1cccc(Oc2ccc(NC(=O)COCc3ccccc3)cc2)c1
InChIInChI=1S/C31H30N2O5/c34-30(22-36-20-24-8-3-1-4-9-24)32-19-26-12-7-13-29(18-26)38-28-16-14-27(15-17-28)33-31(35)23-37-21-25-10-5-2-6-11-25/h1-18H,19-23H2,(H,32,34)(H,33,35)
InChIKeyPPDVYWHNSWICFU-UHFFFAOYSA-N
MW510.59 g/mol
LogP5.47
Rot. Bonds13

About 2-phenylmethoxy-N-[[3-[4-[(2-phenylmethoxyacetyl)amino]phenoxy]phenyl]methyl]acetamide

2-phenylmethoxy-N-[[3-[4-[(2-phenylmethoxyacetyl)amino]phenoxy]phenyl]methyl]acetamide (PubChem CID 11420847) has the molecular formula C31H30N2O5 and a molecular weight of 510.59 g/mol. Its IUPAC name is 2-phenylmethoxy-N-[[3-[4-[(2-phenylmethoxyacetyl)amino]phenoxy]phenyl]methyl]acetamide.

Molecular Properties

Compound Name2-phenylmethoxy-N-[[3-[4-[(2-phenylmethoxyacetyl)amino]phenoxy]phenyl]methyl]acetamide
PubChem CID11420847
Molecular FormulaC31H30N2O5
Molecular Weight510.59 g/mol
Exact Mass510.22
IUPAC Name2-phenylmethoxy-N-[[3-[4-[(2-phenylmethoxyacetyl)amino]phenoxy]phenyl]methyl]acetamide
SMILESO=C(COCc1ccccc1)NCc1cccc(Oc2ccc(NC(=O)COCc3ccccc3)cc2)c1
InChIInChI=1S/C31H30N2O5/c34-30(22-36-20-24-8-3-1-4-9-24)32-19-26-12-7-13-29(18-26)38-28-16-14-27(15-17-28)33-31(35)23-37-21-25-10-5-2-6-11-25/h1-18H,19-23H2,(H,32,34)(H,33,35)
InChIKeyPPDVYWHNSWICFU-UHFFFAOYSA-N
XLogP5.47
TPSA85.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds13
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500510.59
LogP ≤ 55.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-phenylmethoxy-N-[[3-[4-[(2-phenylmethoxyacetyl)amino]phenoxy]phenyl]methyl]acetamide?
The IUPAC name of 2-phenylmethoxy-N-[[3-[4-[(2-phenylmethoxyacetyl)amino]phenoxy]phenyl]methyl]acetamide (CID 11420847) is 2-phenylmethoxy-N-[[3-[4-[(2-phenylmethoxyacetyl)amino]phenoxy]phenyl]methyl]acetamide.
What is the SMILES notation for 2-phenylmethoxy-N-[[3-[4-[(2-phenylmethoxyacetyl)amino]phenoxy]phenyl]methyl]acetamide?
The canonical SMILES for 2-phenylmethoxy-N-[[3-[4-[(2-phenylmethoxyacetyl)amino]phenoxy]phenyl]methyl]acetamide is O=C(COCc1ccccc1)NCc1cccc(Oc2ccc(NC(=O)COCc3ccccc3)cc2)c1.
What is the InChIKey of 2-phenylmethoxy-N-[[3-[4-[(2-phenylmethoxyacetyl)amino]phenoxy]phenyl]methyl]acetamide?
The InChIKey is PPDVYWHNSWICFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H30N2O5/c34-30(22-36-20-24-8-3-1-4-9-24)32-19-26-12-7-13-29(18-26)38-28-16-14-27(15-17-28)33-31(35)23-37-21-25-10-5-2-6-11-25/h1-18H,19-23H2,(H,32,34)(H,33,35).
What are the key properties of 2-phenylmethoxy-N-[[3-[4-[(2-phenylmethoxyacetyl)amino]phenoxy]phenyl]methyl]acetamide?
2-phenylmethoxy-N-[[3-[4-[(2-phenylmethoxyacetyl)amino]phenoxy]phenyl]methyl]acetamide has a molecular weight of 510.59 g/mol, XLogP of 5.47, 13 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenylmethoxy-N-[[3-[4-[(2-phenylmethoxyacetyl)amino]phenoxy]phenyl]methyl]acetamide is sourced from PubChem (CID 11420847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).