[4-[(Z)-2-benzyl-1-[4-(2-morpholin-4-ylethoxy)phenyl]but-1-enyl]phenyl] N-ethylcarbamate

C32H38N2O4 — CID 155805536

IUPAC[4-[(Z)-2-benzyl-1-[4-(2-morpholin-4-ylethoxy)phenyl]but-1-enyl]phenyl] N-ethylcarbamate
SMILESCCNC(=O)Oc1ccc(/C(=C(/CC)Cc2ccccc2)c2ccc(OCCN3CCOCC3)cc2)cc1
InChIInChI=1S/C32H38N2O4/c1-3-26(24-25-8-6-5-7-9-25)31(28-12-16-30(17-13-28)38-32(35)33-4-2)27-10-14-29(15-11-27)37-23-20-34-18-21-36-22-19-34/h5-17H,3-4,18-24H2,1-2H3,(H,33,35)/b31-26-
InChIKeySBGMUNNMJOEMFN-ZXPTYKNPSA-N
MW514.67 g/mol
LogP5.96
Rot. Bonds11

About [4-[(Z)-2-benzyl-1-[4-(2-morpholin-4-ylethoxy)phenyl]but-1-enyl]phenyl] N-ethylcarbamate

[4-[(Z)-2-benzyl-1-[4-(2-morpholin-4-ylethoxy)phenyl]but-1-enyl]phenyl] N-ethylcarbamate (PubChem CID 155805536) has the molecular formula C32H38N2O4 and a molecular weight of 514.67 g/mol. Its IUPAC name is [4-[(Z)-2-benzyl-1-[4-(2-morpholin-4-ylethoxy)phenyl]but-1-enyl]phenyl] N-ethylcarbamate.

Molecular Properties

Compound Name[4-[(Z)-2-benzyl-1-[4-(2-morpholin-4-ylethoxy)phenyl]but-1-enyl]phenyl] N-ethylcarbamate
PubChem CID155805536
Molecular FormulaC32H38N2O4
Molecular Weight514.67 g/mol
Exact Mass514.28
IUPAC Name[4-[(Z)-2-benzyl-1-[4-(2-morpholin-4-ylethoxy)phenyl]but-1-enyl]phenyl] N-ethylcarbamate
SMILESCCNC(=O)Oc1ccc(/C(=C(/CC)Cc2ccccc2)c2ccc(OCCN3CCOCC3)cc2)cc1
InChIInChI=1S/C32H38N2O4/c1-3-26(24-25-8-6-5-7-9-25)31(28-12-16-30(17-13-28)38-32(35)33-4-2)27-10-14-29(15-11-27)37-23-20-34-18-21-36-22-19-34/h5-17H,3-4,18-24H2,1-2H3,(H,33,35)/b31-26-
InChIKeySBGMUNNMJOEMFN-ZXPTYKNPSA-N
XLogP5.96
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500514.67
LogP ≤ 55.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [4-[(Z)-2-benzyl-1-[4-(2-morpholin-4-ylethoxy)phenyl]but-1-enyl]phenyl] N-ethylcarbamate 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 [4-[(Z)-2-benzyl-1-[4-(2-morpholin-4-ylethoxy)phenyl]but-1-enyl]phenyl] N-ethylcarbamate?
The IUPAC name of [4-[(Z)-2-benzyl-1-[4-(2-morpholin-4-ylethoxy)phenyl]but-1-enyl]phenyl] N-ethylcarbamate (CID 155805536) is [4-[(Z)-2-benzyl-1-[4-(2-morpholin-4-ylethoxy)phenyl]but-1-enyl]phenyl] N-ethylcarbamate.
What is the SMILES notation for [4-[(Z)-2-benzyl-1-[4-(2-morpholin-4-ylethoxy)phenyl]but-1-enyl]phenyl] N-ethylcarbamate?
The canonical SMILES for [4-[(Z)-2-benzyl-1-[4-(2-morpholin-4-ylethoxy)phenyl]but-1-enyl]phenyl] N-ethylcarbamate is CCNC(=O)Oc1ccc(/C(=C(/CC)Cc2ccccc2)c2ccc(OCCN3CCOCC3)cc2)cc1.
What is the InChIKey of [4-[(Z)-2-benzyl-1-[4-(2-morpholin-4-ylethoxy)phenyl]but-1-enyl]phenyl] N-ethylcarbamate?
The InChIKey is SBGMUNNMJOEMFN-ZXPTYKNPSA-N. The full InChI is InChI=1S/C32H38N2O4/c1-3-26(24-25-8-6-5-7-9-25)31(28-12-16-30(17-13-28)38-32(35)33-4-2)27-10-14-29(15-11-27)37-23-20-34-18-21-36-22-19-34/h5-17H,3-4,18-24H2,1-2H3,(H,33,35)/b31-26-.
What are the key properties of [4-[(Z)-2-benzyl-1-[4-(2-morpholin-4-ylethoxy)phenyl]but-1-enyl]phenyl] N-ethylcarbamate?
[4-[(Z)-2-benzyl-1-[4-(2-morpholin-4-ylethoxy)phenyl]but-1-enyl]phenyl] N-ethylcarbamate has a molecular weight of 514.67 g/mol, XLogP of 5.96, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(Z)-2-benzyl-1-[4-(2-morpholin-4-ylethoxy)phenyl]but-1-enyl]phenyl] N-ethylcarbamate is sourced from PubChem (CID 155805536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).