methyl N-[(2S)-1-oxo-3,3-diphenyl-1-[2-[2-[(2R,5S)-5-(propan-2-ylcarbamoyloxymethyl)morpholin-2-yl]ethyl]anilino]propan-2-yl]carbamate

C34H42N4O6 — CID 127045157

IUPACmethyl N-[(2S)-1-oxo-3,3-diphenyl-1-[2-[2-[(2R,5S)-5-(propan-2-ylcarbamoyloxymethyl)morpholin-2-yl]ethyl]anilino]propan-2-yl]carbamate
SMILESCOC(=O)N[C@H](C(=O)Nc1ccccc1CC[C@@H]1CN[C@H](COC(=O)NC(C)C)CO1)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C34H42N4O6/c1-23(2)36-34(41)44-22-27-21-43-28(20-35-27)19-18-24-12-10-11-17-29(24)37-32(39)31(38-33(40)42-3)30(25-13-6-4-7-14-25)26-15-8-5-9-16-26/h4-17,23,27-28,30-31,35H,18-22H2,1-3H3,(H,36,41)(H,37,39)(H,38,40)/t27-,28+,31-/m0/s1
InChIKeySZFQISPTTBVGCK-QXIHQKPUSA-N
MW602.73 g/mol
LogP4.61
Rot. Bonds12

About methyl N-[(2S)-1-oxo-3,3-diphenyl-1-[2-[2-[(2R,5S)-5-(propan-2-ylcarbamoyloxymethyl)morpholin-2-yl]ethyl]anilino]propan-2-yl]carbamate

methyl N-[(2S)-1-oxo-3,3-diphenyl-1-[2-[2-[(2R,5S)-5-(propan-2-ylcarbamoyloxymethyl)morpholin-2-yl]ethyl]anilino]propan-2-yl]carbamate (PubChem CID 127045157) has the molecular formula C34H42N4O6 and a molecular weight of 602.73 g/mol. Its IUPAC name is methyl N-[(2S)-1-oxo-3,3-diphenyl-1-[2-[2-[(2R,5S)-5-(propan-2-ylcarbamoyloxymethyl)morpholin-2-yl]ethyl]anilino]propan-2-yl]carbamate.

Molecular Properties

Compound Namemethyl N-[(2S)-1-oxo-3,3-diphenyl-1-[2-[2-[(2R,5S)-5-(propan-2-ylcarbamoyloxymethyl)morpholin-2-yl]ethyl]anilino]propan-2-yl]carbamate
PubChem CID127045157
Molecular FormulaC34H42N4O6
Molecular Weight602.73 g/mol
Exact Mass602.31
IUPAC Namemethyl N-[(2S)-1-oxo-3,3-diphenyl-1-[2-[2-[(2R,5S)-5-(propan-2-ylcarbamoyloxymethyl)morpholin-2-yl]ethyl]anilino]propan-2-yl]carbamate
SMILESCOC(=O)N[C@H](C(=O)Nc1ccccc1CC[C@@H]1CN[C@H](COC(=O)NC(C)C)CO1)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C34H42N4O6/c1-23(2)36-34(41)44-22-27-21-43-28(20-35-27)19-18-24-12-10-11-17-29(24)37-32(39)31(38-33(40)42-3)30(25-13-6-4-7-14-25)26-15-8-5-9-16-26/h4-17,23,27-28,30-31,35H,18-22H2,1-3H3,(H,36,41)(H,37,39)(H,38,40)/t27-,28+,31-/m0/s1
InChIKeySZFQISPTTBVGCK-QXIHQKPUSA-N
XLogP4.61
TPSA127.02 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds12
Heavy Atoms44
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500602.73
LogP ≤ 54.61
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Analyze methyl N-[(2S)-1-oxo-3,3-diphenyl-1-[2-[2-[(2R,5S)-5-(propan-2-ylcarbamoyloxymethyl)morpholin-2-yl]ethyl]anilino]propan-2-yl]carbamate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl N-[(2S)-1-oxo-3,3-diphenyl-1-[2-[2-[(2R,5S)-5-(propan-2-ylcarbamoyloxymethyl)morpholin-2-yl]ethyl]anilino]propan-2-yl]carbamate?
The IUPAC name of methyl N-[(2S)-1-oxo-3,3-diphenyl-1-[2-[2-[(2R,5S)-5-(propan-2-ylcarbamoyloxymethyl)morpholin-2-yl]ethyl]anilino]propan-2-yl]carbamate (CID 127045157) is methyl N-[(2S)-1-oxo-3,3-diphenyl-1-[2-[2-[(2R,5S)-5-(propan-2-ylcarbamoyloxymethyl)morpholin-2-yl]ethyl]anilino]propan-2-yl]carbamate.
What is the SMILES notation for methyl N-[(2S)-1-oxo-3,3-diphenyl-1-[2-[2-[(2R,5S)-5-(propan-2-ylcarbamoyloxymethyl)morpholin-2-yl]ethyl]anilino]propan-2-yl]carbamate?
The canonical SMILES for methyl N-[(2S)-1-oxo-3,3-diphenyl-1-[2-[2-[(2R,5S)-5-(propan-2-ylcarbamoyloxymethyl)morpholin-2-yl]ethyl]anilino]propan-2-yl]carbamate is COC(=O)N[C@H](C(=O)Nc1ccccc1CC[C@@H]1CN[C@H](COC(=O)NC(C)C)CO1)C(c1ccccc1)c1ccccc1.
What is the InChIKey of methyl N-[(2S)-1-oxo-3,3-diphenyl-1-[2-[2-[(2R,5S)-5-(propan-2-ylcarbamoyloxymethyl)morpholin-2-yl]ethyl]anilino]propan-2-yl]carbamate?
The InChIKey is SZFQISPTTBVGCK-QXIHQKPUSA-N. The full InChI is InChI=1S/C34H42N4O6/c1-23(2)36-34(41)44-22-27-21-43-28(20-35-27)19-18-24-12-10-11-17-29(24)37-32(39)31(38-33(40)42-3)30(25-13-6-4-7-14-25)26-15-8-5-9-16-26/h4-17,23,27-28,30-31,35H,18-22H2,1-3H3,(H,36,41)(H,37,39)(H,38,40)/t27-,28+,31-/m0/s1.
What are the key properties of methyl N-[(2S)-1-oxo-3,3-diphenyl-1-[2-[2-[(2R,5S)-5-(propan-2-ylcarbamoyloxymethyl)morpholin-2-yl]ethyl]anilino]propan-2-yl]carbamate?
methyl N-[(2S)-1-oxo-3,3-diphenyl-1-[2-[2-[(2R,5S)-5-(propan-2-ylcarbamoyloxymethyl)morpholin-2-yl]ethyl]anilino]propan-2-yl]carbamate has a molecular weight of 602.73 g/mol, XLogP of 4.61, 12 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[(2S)-1-oxo-3,3-diphenyl-1-[2-[2-[(2R,5S)-5-(propan-2-ylcarbamoyloxymethyl)morpholin-2-yl]ethyl]anilino]propan-2-yl]carbamate is sourced from PubChem (CID 127045157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).