ethyl (E)-4-[2-[2-[2-[2-(phenylmethoxycarbonylamino)ethoxy]ethoxy]ethoxy]ethoxy]but-2-enoate

C22H33NO8 — CID 168818022

IUPACethyl (E)-4-[2-[2-[2-[2-(phenylmethoxycarbonylamino)ethoxy]ethoxy]ethoxy]ethoxy]but-2-enoate
SMILESCCOC(=O)/C=C/COCCOCCOCCOCCNC(=O)OCc1ccccc1
InChIInChI=1S/C22H33NO8/c1-2-30-21(24)9-6-11-26-13-15-28-17-18-29-16-14-27-12-10-23-22(25)31-19-20-7-4-3-5-8-20/h3-9H,2,10-19H2,1H3,(H,23,25)/b9-6+
InChIKeySUUKDYMROAYILY-RMKNXTFCSA-N
MW439.51 g/mol
LogP2.10
Rot. Bonds18

About ethyl (E)-4-[2-[2-[2-[2-(phenylmethoxycarbonylamino)ethoxy]ethoxy]ethoxy]ethoxy]but-2-enoate

ethyl (E)-4-[2-[2-[2-[2-(phenylmethoxycarbonylamino)ethoxy]ethoxy]ethoxy]ethoxy]but-2-enoate (PubChem CID 168818022) has the molecular formula C22H33NO8 and a molecular weight of 439.51 g/mol. Its IUPAC name is ethyl (E)-4-[2-[2-[2-[2-(phenylmethoxycarbonylamino)ethoxy]ethoxy]ethoxy]ethoxy]but-2-enoate.

Molecular Properties

Compound Nameethyl (E)-4-[2-[2-[2-[2-(phenylmethoxycarbonylamino)ethoxy]ethoxy]ethoxy]ethoxy]but-2-enoate
PubChem CID168818022
Molecular FormulaC22H33NO8
Molecular Weight439.51 g/mol
Exact Mass439.22
IUPAC Nameethyl (E)-4-[2-[2-[2-[2-(phenylmethoxycarbonylamino)ethoxy]ethoxy]ethoxy]ethoxy]but-2-enoate
SMILESCCOC(=O)/C=C/COCCOCCOCCOCCNC(=O)OCc1ccccc1
InChIInChI=1S/C22H33NO8/c1-2-30-21(24)9-6-11-26-13-15-28-17-18-29-16-14-27-12-10-23-22(25)31-19-20-7-4-3-5-8-20/h3-9H,2,10-19H2,1H3,(H,23,25)/b9-6+
InChIKeySUUKDYMROAYILY-RMKNXTFCSA-N
XLogP2.10
TPSA101.55 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds18
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.51
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze ethyl (E)-4-[2-[2-[2-[2-(phenylmethoxycarbonylamino)ethoxy]ethoxy]ethoxy]ethoxy]but-2-enoate 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

ethyl (E)-4-[3-[3-(phenylmethoxycarbonylamino)propoxy]propoxy]but-2-enoate
CID 167464478
ethyl (E)-4-[2-[2-[2-(2-phenylmethoxyethoxy)ethoxy]ethoxy]ethoxy]but-2-enoate
CID 171060040
benzyl N-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethyl]carbamate
CID 162341693
benzyl N-[2-[2-(2-aminooxyethoxy)ethoxy]ethyl]carbamate
CID 178184257
benzyl N-[2-[2-[2-[2-[2-[(2-bromoacetyl)amino]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]carbamate
CID 170898622
ethyl (2E,6Z)-8-phenylmethoxyocta-2,6-dienoate
CID 10084732
2-[2-(phenylmethoxycarbonylamino)ethoxy]ethyl 4-methylbenzenesulfonate
CID 118796849
benzyl N-[2-[2-(ethoxycarbonylamino)ethylamino]ethyl]carbamate
CID 139472317
ethyl (2Z,4E)-6-phenylmethoxyhexa-2,4-dienoate
CID 11499739
methyl 4-[2-(phenylmethoxycarbonylamino)ethoxymethyl]benzoate
CID 18928600
tert-butyl 2-[2-[2-(phenylmethoxycarbonylamino)ethoxy]ethoxy]acetate
CID 11325667
methyl 7-(phenylmethoxycarbonylamino)hept-2-enoate
CID 167312497

Frequently Asked Questions

What is the IUPAC name of ethyl (E)-4-[2-[2-[2-[2-(phenylmethoxycarbonylamino)ethoxy]ethoxy]ethoxy]ethoxy]but-2-enoate?
The IUPAC name of ethyl (E)-4-[2-[2-[2-[2-(phenylmethoxycarbonylamino)ethoxy]ethoxy]ethoxy]ethoxy]but-2-enoate (CID 168818022) is ethyl (E)-4-[2-[2-[2-[2-(phenylmethoxycarbonylamino)ethoxy]ethoxy]ethoxy]ethoxy]but-2-enoate.
What is the SMILES notation for ethyl (E)-4-[2-[2-[2-[2-(phenylmethoxycarbonylamino)ethoxy]ethoxy]ethoxy]ethoxy]but-2-enoate?
The canonical SMILES for ethyl (E)-4-[2-[2-[2-[2-(phenylmethoxycarbonylamino)ethoxy]ethoxy]ethoxy]ethoxy]but-2-enoate is CCOC(=O)/C=C/COCCOCCOCCOCCNC(=O)OCc1ccccc1.
What is the InChIKey of ethyl (E)-4-[2-[2-[2-[2-(phenylmethoxycarbonylamino)ethoxy]ethoxy]ethoxy]ethoxy]but-2-enoate?
The InChIKey is SUUKDYMROAYILY-RMKNXTFCSA-N. The full InChI is InChI=1S/C22H33NO8/c1-2-30-21(24)9-6-11-26-13-15-28-17-18-29-16-14-27-12-10-23-22(25)31-19-20-7-4-3-5-8-20/h3-9H,2,10-19H2,1H3,(H,23,25)/b9-6+.
What are the key properties of ethyl (E)-4-[2-[2-[2-[2-(phenylmethoxycarbonylamino)ethoxy]ethoxy]ethoxy]ethoxy]but-2-enoate?
ethyl (E)-4-[2-[2-[2-[2-(phenylmethoxycarbonylamino)ethoxy]ethoxy]ethoxy]ethoxy]but-2-enoate has a molecular weight of 439.51 g/mol, XLogP of 2.10, 18 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (E)-4-[2-[2-[2-[2-(phenylmethoxycarbonylamino)ethoxy]ethoxy]ethoxy]ethoxy]but-2-enoate is sourced from PubChem (CID 168818022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).