ethyl 2-[3-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethoxy]phenyl]-2-phenylacetate

C25H33NO6 — CID 171639903

IUPACethyl 2-[3-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethoxy]phenyl]-2-phenylacetate
SMILESCCOC(=O)C(c1ccccc1)c1cccc(OCCOCCNC(=O)OC(C)(C)C)c1
InChIInChI=1S/C25H33NO6/c1-5-30-23(27)22(19-10-7-6-8-11-19)20-12-9-13-21(18-20)31-17-16-29-15-14-26-24(28)32-25(2,3)4/h6-13,18,22H,5,14-17H2,1-4H3,(H,26,28)
InChIKeyHEJYPFZCZFWNKO-UHFFFAOYSA-N
MW443.54 g/mol
LogP4.30
Rot. Bonds11

About ethyl 2-[3-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethoxy]phenyl]-2-phenylacetate

ethyl 2-[3-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethoxy]phenyl]-2-phenylacetate (PubChem CID 171639903) has the molecular formula C25H33NO6 and a molecular weight of 443.54 g/mol. Its IUPAC name is ethyl 2-[3-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethoxy]phenyl]-2-phenylacetate.

Molecular Properties

Compound Nameethyl 2-[3-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethoxy]phenyl]-2-phenylacetate
PubChem CID171639903
Molecular FormulaC25H33NO6
Molecular Weight443.54 g/mol
Exact Mass443.23
IUPAC Nameethyl 2-[3-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethoxy]phenyl]-2-phenylacetate
SMILESCCOC(=O)C(c1ccccc1)c1cccc(OCCOCCNC(=O)OC(C)(C)C)c1
InChIInChI=1S/C25H33NO6/c1-5-30-23(27)22(19-10-7-6-8-11-19)20-12-9-13-21(18-20)31-17-16-29-15-14-26-24(28)32-25(2,3)4/h6-13,18,22H,5,14-17H2,1-4H3,(H,26,28)
InChIKeyHEJYPFZCZFWNKO-UHFFFAOYSA-N
XLogP4.30
TPSA83.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.54
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze ethyl 2-[3-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethoxy]phenyl]-2-phenylacetate 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 2-[3-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propylamino]phenyl]-2-phenylacetate
CID 171639947
tert-butyl N-[2-[2-[2-[2-[2-[3-[2-[[(2R)-5-amino-1-[[4-[(carbamoylamino)methyl]phenyl]methylamino]-1-oxopentan-2-yl]amino]-2-oxo-1-phenylethyl]phenoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]carbamate
CID 171639374
ethyl 2-[4-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propylamino]phenyl]-2-phenylacetate
CID 171639648
tert-butyl N-[2-[3-(2-aminoethoxy)phenoxy]ethyl]carbamate
CID 156819756
methyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-[3-(2-phenylmethoxyethoxy)phenyl]acetate
CID 175103356
tert-butyl N-[2-(3-tert-butylphenoxy)ethyl]carbamate
CID 113100474
tert-butyl N-[2-[2-[2-[2-(4-iodophenoxy)ethoxy]ethoxy]ethoxy]ethyl]carbamate
CID 138695945
tert-butyl N-[2-[2-[2-[2-(2-phenylmethoxyethoxy)ethoxy]ethoxy]ethoxy]ethyl]carbamate
CID 140765220
2-[3-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]phenyl]acetic acid
CID 164513589
2-(3-bromophenoxy)ethyl 3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 8734567
tert-butyl N-[3-(3-bromophenoxy)propyl]carbamate
CID 68922177
methyl 4-[2-[2-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethoxy]ethoxy]ethoxy]benzoate
CID 177055235

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[3-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethoxy]phenyl]-2-phenylacetate?
The IUPAC name of ethyl 2-[3-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethoxy]phenyl]-2-phenylacetate (CID 171639903) is ethyl 2-[3-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethoxy]phenyl]-2-phenylacetate.
What is the SMILES notation for ethyl 2-[3-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethoxy]phenyl]-2-phenylacetate?
The canonical SMILES for ethyl 2-[3-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethoxy]phenyl]-2-phenylacetate is CCOC(=O)C(c1ccccc1)c1cccc(OCCOCCNC(=O)OC(C)(C)C)c1.
What is the InChIKey of ethyl 2-[3-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethoxy]phenyl]-2-phenylacetate?
The InChIKey is HEJYPFZCZFWNKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33NO6/c1-5-30-23(27)22(19-10-7-6-8-11-19)20-12-9-13-21(18-20)31-17-16-29-15-14-26-24(28)32-25(2,3)4/h6-13,18,22H,5,14-17H2,1-4H3,(H,26,28).
What are the key properties of ethyl 2-[3-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethoxy]phenyl]-2-phenylacetate?
ethyl 2-[3-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethoxy]phenyl]-2-phenylacetate has a molecular weight of 443.54 g/mol, XLogP of 4.30, 11 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[3-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethoxy]phenyl]-2-phenylacetate is sourced from PubChem (CID 171639903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).