N-[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl]-3-[3-[[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl]-[2-oxo-2-(2-phenylethylamino)ethyl]carbamoyl]phenyl]-N-[2-oxo-2-(2-phenylethylamino)ethyl]benzamide

C56H60N6O8 — CID 11803959

IUPACN-[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl]-3-[3-[[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl]-[2-oxo-2-(2-phenylethylamino)ethyl]carbamoyl]phenyl]-N-[2-oxo-2-(2-phenylethylamino)ethyl]benzamide
SMILESCOc1ccc(CCNC(=O)CN(CC(=O)NCCc2ccccc2)C(=O)c2cccc(-c3cccc(C(=O)N(CC(=O)NCCc4ccccc4)CC(=O)NCCc4ccc(OC)cc4)c3)c2)cc1
InChIInChI=1S/C56H60N6O8/c1-69-49-23-19-43(20-24-49)29-33-59-53(65)39-61(37-51(63)57-31-27-41-11-5-3-6-12-41)55(67)47-17-9-15-45(35-47)46-16-10-18-48(36-46)56(68)62(38-52(64)58-32-28-42-13-7-4-8-14-42)40-54(66)60-34-30-44-21-25-50(70-2)26-22-44/h3-26,35-36H,27-34,37-40H2,1-2H3,(H,57,63)(H,58,64)(H,59,65)(H,60,66)
InChIKeyHBOZSYITLYOAPB-UHFFFAOYSA-N
MW945.13 g/mol
LogP5.69
Rot. Bonds25

About N-[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl]-3-[3-[[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl]-[2-oxo-2-(2-phenylethylamino)ethyl]carbamoyl]phenyl]-N-[2-oxo-2-(2-phenylethylamino)ethyl]benzamide

N-[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl]-3-[3-[[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl]-[2-oxo-2-(2-phenylethylamino)ethyl]carbamoyl]phenyl]-N-[2-oxo-2-(2-phenylethylamino)ethyl]benzamide (PubChem CID 11803959) has the molecular formula C56H60N6O8 and a molecular weight of 945.13 g/mol. Its IUPAC name is N-[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl]-3-[3-[[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl]-[2-oxo-2-(2-phenylethylamino)ethyl]carbamoyl]phenyl]-N-[2-oxo-2-(2-phenylethylamino)ethyl]benzamide.

Molecular Properties

Compound NameN-[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl]-3-[3-[[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl]-[2-oxo-2-(2-phenylethylamino)ethyl]carbamoyl]phenyl]-N-[2-oxo-2-(2-phenylethylamino)ethyl]benzamide
PubChem CID11803959
Molecular FormulaC56H60N6O8
Molecular Weight945.13 g/mol
Exact Mass944.45
IUPAC NameN-[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl]-3-[3-[[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl]-[2-oxo-2-(2-phenylethylamino)ethyl]carbamoyl]phenyl]-N-[2-oxo-2-(2-phenylethylamino)ethyl]benzamide
SMILESCOc1ccc(CCNC(=O)CN(CC(=O)NCCc2ccccc2)C(=O)c2cccc(-c3cccc(C(=O)N(CC(=O)NCCc4ccccc4)CC(=O)NCCc4ccc(OC)cc4)c3)c2)cc1
InChIInChI=1S/C56H60N6O8/c1-69-49-23-19-43(20-24-49)29-33-59-53(65)39-61(37-51(63)57-31-27-41-11-5-3-6-12-41)55(67)47-17-9-15-45(35-47)46-16-10-18-48(36-46)56(68)62(38-52(64)58-32-28-42-13-7-4-8-14-42)40-54(66)60-34-30-44-21-25-50(70-2)26-22-44/h3-26,35-36H,27-34,37-40H2,1-2H3,(H,57,63)(H,58,64)(H,59,65)(H,60,66)
InChIKeyHBOZSYITLYOAPB-UHFFFAOYSA-N
XLogP5.69
TPSA175.48 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds25
Heavy Atoms70
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500945.13
LogP ≤ 55.69
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Analyze N-[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl]-3-[3-[[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl]-[2-oxo-2-(2-phenylethylamino)ethyl]carbamoyl]phenyl]-N-[2-oxo-2-(2-phenylethylamino)ethyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl]-4-[4-[[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl]-[2-oxo-2-(2-phenylethylamino)ethyl]carbamoyl]phenyl]-N-[2-oxo-2-(2-phenylethylamino)ethyl]benzamide
CID 10629682
N-[2-(4-methoxyphenyl)ethyl]-3-phenylbenzamide
CID 117087730
tert-butyl N-[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl]-N-[2-oxo-2-(2-phenylethylamino)ethyl]carbamate
CID 10742955
2-[benzyl(methylsulfonyl)amino]-N-[2-(4-methoxyphenyl)ethyl]acetamide
CID 113150436
3-[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethoxy]benzoic acid
CID 45396627
N-[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl]-2-phenylacetamide
CID 27548820
methyl 3-[acetyl-[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl]amino]benzoate
CID 113176237
N-[3-(4-methoxyphenyl)propyl]-2-(4-phenylphenyl)acetamide
CID 100516355
2-(N-acetyl-4-methoxyanilino)-N-[2-(4-methoxyphenyl)ethyl]acetamide
CID 113173533
2-[(3-chlorophenyl)methyl-methylamino]-N-[2-(4-methoxyphenyl)ethyl]acetamide
CID 26512391
N-[2-(4-methoxyphenyl)ethyl]-2-[(4-methoxyphenyl)methyl-methylamino]acetamide
CID 8761409
N-[2-(4-methoxyphenyl)ethyl]-2-[methyl-[(2-methylphenyl)methyl]amino]acetamide
CID 26510312

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl]-3-[3-[[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl]-[2-oxo-2-(2-phenylethylamino)ethyl]carbamoyl]phenyl]-N-[2-oxo-2-(2-phenylethylamino)ethyl]benzamide?
The IUPAC name of N-[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl]-3-[3-[[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl]-[2-oxo-2-(2-phenylethylamino)ethyl]carbamoyl]phenyl]-N-[2-oxo-2-(2-phenylethylamino)ethyl]benzamide (CID 11803959) is N-[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl]-3-[3-[[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl]-[2-oxo-2-(2-phenylethylamino)ethyl]carbamoyl]phenyl]-N-[2-oxo-2-(2-phenylethylamino)ethyl]benzamide.
What is the SMILES notation for N-[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl]-3-[3-[[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl]-[2-oxo-2-(2-phenylethylamino)ethyl]carbamoyl]phenyl]-N-[2-oxo-2-(2-phenylethylamino)ethyl]benzamide?
The canonical SMILES for N-[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl]-3-[3-[[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl]-[2-oxo-2-(2-phenylethylamino)ethyl]carbamoyl]phenyl]-N-[2-oxo-2-(2-phenylethylamino)ethyl]benzamide is COc1ccc(CCNC(=O)CN(CC(=O)NCCc2ccccc2)C(=O)c2cccc(-c3cccc(C(=O)N(CC(=O)NCCc4ccccc4)CC(=O)NCCc4ccc(OC)cc4)c3)c2)cc1.
What is the InChIKey of N-[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl]-3-[3-[[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl]-[2-oxo-2-(2-phenylethylamino)ethyl]carbamoyl]phenyl]-N-[2-oxo-2-(2-phenylethylamino)ethyl]benzamide?
The InChIKey is HBOZSYITLYOAPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H60N6O8/c1-69-49-23-19-43(20-24-49)29-33-59-53(65)39-61(37-51(63)57-31-27-41-11-5-3-6-12-41)55(67)47-17-9-15-45(35-47)46-16-10-18-48(36-46)56(68)62(38-52(64)58-32-28-42-13-7-4-8-14-42)40-54(66)60-34-30-44-21-25-50(70-2)26-22-44/h3-26,35-36H,27-34,37-40H2,1-2H3,(H,57,63)(H,58,64)(H,59,65)(H,60,66).
What are the key properties of N-[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl]-3-[3-[[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl]-[2-oxo-2-(2-phenylethylamino)ethyl]carbamoyl]phenyl]-N-[2-oxo-2-(2-phenylethylamino)ethyl]benzamide?
N-[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl]-3-[3-[[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl]-[2-oxo-2-(2-phenylethylamino)ethyl]carbamoyl]phenyl]-N-[2-oxo-2-(2-phenylethylamino)ethyl]benzamide has a molecular weight of 945.13 g/mol, XLogP of 5.69, 25 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl]-3-[3-[[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl]-[2-oxo-2-(2-phenylethylamino)ethyl]carbamoyl]phenyl]-N-[2-oxo-2-(2-phenylethylamino)ethyl]benzamide is sourced from PubChem (CID 11803959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).