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

C56H60N6O8 — CID 10629682

IUPACN-[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
SMILESCOc1ccc(CCNC(=O)CN(CC(=O)NCCc2ccccc2)C(=O)c2ccc(-c3ccc(C(=O)N(CC(=O)NCCc4ccccc4)CC(=O)NCCc4ccc(OC)cc4)cc3)cc2)cc1
InChIInChI=1S/C56H60N6O8/c1-69-49-25-13-43(14-26-49)31-35-59-53(65)39-61(37-51(63)57-33-29-41-9-5-3-6-10-41)55(67)47-21-17-45(18-22-47)46-19-23-48(24-20-46)56(68)62(38-52(64)58-34-30-42-11-7-4-8-12-42)40-54(66)60-36-32-44-15-27-50(70-2)28-16-44/h3-28H,29-40H2,1-2H3,(H,57,63)(H,58,64)(H,59,65)(H,60,66)
InChIKeyCVPKIEYNGBXGRK-UHFFFAOYSA-N
MW945.13 g/mol
LogP5.69
Rot. Bonds25

About 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

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 (PubChem CID 10629682) 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]-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.

Molecular Properties

Compound NameN-[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
PubChem CID10629682
Molecular FormulaC56H60N6O8
Molecular Weight945.13 g/mol
Exact Mass944.45
IUPAC NameN-[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
SMILESCOc1ccc(CCNC(=O)CN(CC(=O)NCCc2ccccc2)C(=O)c2ccc(-c3ccc(C(=O)N(CC(=O)NCCc4ccccc4)CC(=O)NCCc4ccc(OC)cc4)cc3)cc2)cc1
InChIInChI=1S/C56H60N6O8/c1-69-49-25-13-43(14-26-49)31-35-59-53(65)39-61(37-51(63)57-33-29-41-9-5-3-6-10-41)55(67)47-21-17-45(18-22-47)46-19-23-48(24-20-46)56(68)62(38-52(64)58-34-30-42-11-7-4-8-12-42)40-54(66)60-36-32-44-15-27-50(70-2)28-16-44/h3-28H,29-40H2,1-2H3,(H,57,63)(H,58,64)(H,59,65)(H,60,66)
InChIKeyCVPKIEYNGBXGRK-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]-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 with MolForge

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Related Compounds

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
tert-butyl N-[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl]-N-[2-oxo-2-(2-phenylethylamino)ethyl]carbamate
CID 10742955
N-[3-(4-methoxyphenyl)propyl]-2-(4-phenylphenyl)acetamide
CID 100516355
2-[benzyl(methylsulfonyl)amino]-N-[2-(4-methoxyphenyl)ethyl]acetamide
CID 113150436
1-[2-(4-methoxyphenyl)ethyl]-3-(4-phenylphenyl)urea
CID 108867012
[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl] 2-[(4-phenylbenzoyl)amino]acetate
CID 35576363
N-[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl]-2-phenylacetamide
CID 27548820
4-[2-[[2-(4-methoxyphenyl)acetyl]amino]ethyl]benzoic acid
CID 45347528
1-ethyl-1-[(4-methoxyphenyl)methyl]-3-(2-phenylethyl)urea
CID 71889703
[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl] 2-(4-phenylphenoxy)acetate
CID 9140643
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]-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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is COc1ccc(CCNC(=O)CN(CC(=O)NCCc2ccccc2)C(=O)c2ccc(-c3ccc(C(=O)N(CC(=O)NCCc4ccccc4)CC(=O)NCCc4ccc(OC)cc4)cc3)cc2)cc1.
What is the InChIKey of 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?
The InChIKey is CVPKIEYNGBXGRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H60N6O8/c1-69-49-25-13-43(14-26-49)31-35-59-53(65)39-61(37-51(63)57-33-29-41-9-5-3-6-10-41)55(67)47-21-17-45(18-22-47)46-19-23-48(24-20-46)56(68)62(38-52(64)58-34-30-42-11-7-4-8-12-42)40-54(66)60-36-32-44-15-27-50(70-2)28-16-44/h3-28H,29-40H2,1-2H3,(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]-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?
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 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]-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 is sourced from PubChem (CID 10629682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).