2-phenylmethoxy-N-[3-[3-[(2-phenylmethoxyacetyl)amino]benzoyl]phenyl]acetamide

C31H28N2O5 — CID 127038502

IUPAC2-phenylmethoxy-N-[3-[3-[(2-phenylmethoxyacetyl)amino]benzoyl]phenyl]acetamide
SMILESO=C(COCc1ccccc1)Nc1cccc(C(=O)c2cccc(NC(=O)COCc3ccccc3)c2)c1
InChIInChI=1S/C31H28N2O5/c34-29(21-37-19-23-9-3-1-4-10-23)32-27-15-7-13-25(17-27)31(36)26-14-8-16-28(18-26)33-30(35)22-38-20-24-11-5-2-6-12-24/h1-18H,19-22H2,(H,32,34)(H,33,35)
InChIKeyLNDOKMVCXWNMBK-UHFFFAOYSA-N
MW508.57 g/mol
LogP5.23
Rot. Bonds12

About 2-phenylmethoxy-N-[3-[3-[(2-phenylmethoxyacetyl)amino]benzoyl]phenyl]acetamide

2-phenylmethoxy-N-[3-[3-[(2-phenylmethoxyacetyl)amino]benzoyl]phenyl]acetamide (PubChem CID 127038502) has the molecular formula C31H28N2O5 and a molecular weight of 508.57 g/mol. Its IUPAC name is 2-phenylmethoxy-N-[3-[3-[(2-phenylmethoxyacetyl)amino]benzoyl]phenyl]acetamide.

Molecular Properties

Compound Name2-phenylmethoxy-N-[3-[3-[(2-phenylmethoxyacetyl)amino]benzoyl]phenyl]acetamide
PubChem CID127038502
Molecular FormulaC31H28N2O5
Molecular Weight508.57 g/mol
Exact Mass508.20
IUPAC Name2-phenylmethoxy-N-[3-[3-[(2-phenylmethoxyacetyl)amino]benzoyl]phenyl]acetamide
SMILESO=C(COCc1ccccc1)Nc1cccc(C(=O)c2cccc(NC(=O)COCc3ccccc3)c2)c1
InChIInChI=1S/C31H28N2O5/c34-29(21-37-19-23-9-3-1-4-10-23)32-27-15-7-13-25(17-27)31(36)26-14-8-16-28(18-26)33-30(35)22-38-20-24-11-5-2-6-12-24/h1-18H,19-22H2,(H,32,34)(H,33,35)
InChIKeyLNDOKMVCXWNMBK-UHFFFAOYSA-N
XLogP5.23
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500508.57
LogP ≤ 55.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-Benzyloxy-N-(9,10-dioxo-9,10-dihydro-phenanthren-2-yl)-acetamide
CID 10499446
Ethyl 3-(3-phenylpropanoylamino)benzoate
CID 670777
methyl 4-[(E)-3-[3-benzoyl-4-[[2-(4-methylphenyl)acetyl]amino]anilino]-3-oxoprop-1-enyl]benzoate
CID 11421242
N-(2,5-dimethylphenyl)-1-oxo-4-phenyl-1H-isochromene-3-carboxamide
CID 12005347
3-((4-Fluorophenyl)carbonyl)-2-(2-methylpropanoyl)-N,3-diphenyloxirane-2-carboxamide
CID 11976726
2-(4-Methylphenyl)-2-oxoethyl 3-(acetylamino)-4-methylbenzoate
CID 887497
2-Oxo-2-phenylethyl 4-methyl-3-(propionylamino)benzoate
CID 902715
Phenacyl 3-acetamido-4-methylbenzoate
CID 2067824
2-Oxo-2-(phenylamino)ethyl 2-(phenylamino)benzoate
CID 2348438
[2-Oxo-2-(2-phenylanilino)ethyl] 3-(dimethylamino)benzoate
CID 2413255
(2-Anilino-2-oxoethyl) 3-(1,3-dioxoisoindol-2-yl)benzoate
CID 2455239
2-Anilinobenzoic acid [2-(4-acetylanilino)-2-oxoethyl] ester
CID 2465640

Frequently Asked Questions

What is the IUPAC name of 2-phenylmethoxy-N-[3-[3-[(2-phenylmethoxyacetyl)amino]benzoyl]phenyl]acetamide?
The IUPAC name of 2-phenylmethoxy-N-[3-[3-[(2-phenylmethoxyacetyl)amino]benzoyl]phenyl]acetamide (CID 127038502) is 2-phenylmethoxy-N-[3-[3-[(2-phenylmethoxyacetyl)amino]benzoyl]phenyl]acetamide.
What is the SMILES notation for 2-phenylmethoxy-N-[3-[3-[(2-phenylmethoxyacetyl)amino]benzoyl]phenyl]acetamide?
The canonical SMILES for 2-phenylmethoxy-N-[3-[3-[(2-phenylmethoxyacetyl)amino]benzoyl]phenyl]acetamide is O=C(COCc1ccccc1)Nc1cccc(C(=O)c2cccc(NC(=O)COCc3ccccc3)c2)c1.
What is the InChIKey of 2-phenylmethoxy-N-[3-[3-[(2-phenylmethoxyacetyl)amino]benzoyl]phenyl]acetamide?
The InChIKey is LNDOKMVCXWNMBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H28N2O5/c34-29(21-37-19-23-9-3-1-4-10-23)32-27-15-7-13-25(17-27)31(36)26-14-8-16-28(18-26)33-30(35)22-38-20-24-11-5-2-6-12-24/h1-18H,19-22H2,(H,32,34)(H,33,35).
What are the key properties of 2-phenylmethoxy-N-[3-[3-[(2-phenylmethoxyacetyl)amino]benzoyl]phenyl]acetamide?
2-phenylmethoxy-N-[3-[3-[(2-phenylmethoxyacetyl)amino]benzoyl]phenyl]acetamide has a molecular weight of 508.57 g/mol, XLogP of 5.23, 12 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenylmethoxy-N-[3-[3-[(2-phenylmethoxyacetyl)amino]benzoyl]phenyl]acetamide is sourced from PubChem (CID 127038502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).