2-[2-[2-[2-(3,5-dichlorophenoxy)ethoxy]ethoxy]ethoxycarbonylamino]ethyl 2-methylprop-2-enoate

C19H25Cl2NO7 — CID 57069602

IUPAC2-[2-[2-[2-(3,5-dichlorophenoxy)ethoxy]ethoxy]ethoxycarbonylamino]ethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCNC(=O)OCCOCCOCCOc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C19H25Cl2NO7/c1-14(2)18(23)28-4-3-22-19(24)29-10-8-26-6-5-25-7-9-27-17-12-15(20)11-16(21)13-17/h11-13H,1,3-10H2,2H3,(H,22,24)
InChIKeyNGNBUKHBCJPLSN-UHFFFAOYSA-N
MW450.32 g/mol
LogP3.25
Rot. Bonds14

About 2-[2-[2-[2-(3,5-dichlorophenoxy)ethoxy]ethoxy]ethoxycarbonylamino]ethyl 2-methylprop-2-enoate

2-[2-[2-[2-(3,5-dichlorophenoxy)ethoxy]ethoxy]ethoxycarbonylamino]ethyl 2-methylprop-2-enoate (PubChem CID 57069602) has the molecular formula C19H25Cl2NO7 and a molecular weight of 450.32 g/mol. Its IUPAC name is 2-[2-[2-[2-(3,5-dichlorophenoxy)ethoxy]ethoxy]ethoxycarbonylamino]ethyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name2-[2-[2-[2-(3,5-dichlorophenoxy)ethoxy]ethoxy]ethoxycarbonylamino]ethyl 2-methylprop-2-enoate
PubChem CID57069602
Molecular FormulaC19H25Cl2NO7
Molecular Weight450.32 g/mol
Exact Mass449.10
IUPAC Name2-[2-[2-[2-(3,5-dichlorophenoxy)ethoxy]ethoxy]ethoxycarbonylamino]ethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCNC(=O)OCCOCCOCCOc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C19H25Cl2NO7/c1-14(2)18(23)28-4-3-22-19(24)29-10-8-26-6-5-25-7-9-27-17-12-15(20)11-16(21)13-17/h11-13H,1,3-10H2,2H3,(H,22,24)
InChIKeyNGNBUKHBCJPLSN-UHFFFAOYSA-N
XLogP3.25
TPSA92.32 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds14
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.32
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 2-[2-[2-[2-(3,5-dichlorophenoxy)ethoxy]ethoxy]ethoxycarbonylamino]ethyl 2-methylprop-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

2-[2-[2-(3,5-dibromophenoxy)ethoxy]ethoxycarbonylamino]ethyl 2-methylprop-2-enoate
CID 56976207
2-[2-[4-[2-[2-[2-(2-methylprop-2-enoyloxy)ethylcarbamoyloxy]ethoxy]ethoxy]phenyl]ethoxycarbonylamino]ethyl 2-methylprop-2-enoate
CID 118331491
ethane;2-[2-(4-methylphenoxy)ethoxycarbonylamino]ethyl 2-methylprop-2-enoate
CID 156747138
2-[2-[4-[2-[4-[2-[2-(2-methylprop-2-enoyloxy)ethylcarbamoyloxy]ethoxy]phenyl]propan-2-yl]phenoxy]ethoxycarbonylamino]ethyl 2-methylprop-2-enoate
CID 59378635
2-[2-[2-(prop-1-en-2-yloxymethoxy)ethoxycarbonylamino]ethoxy]ethyl 2-methylprop-2-enoate
CID 23571684
2-[2-[3-(trimethyl-λ4-sulfanyl)propoxy]ethoxycarbonylamino]ethyl 2-methylprop-2-enoate
CID 139355367
2-[2-(4-methylpentoxy)ethoxycarbonylamino]ethyl 2-methylprop-2-enoate
CID 166456371
2-[2-[3-[2-[2-(2-methylprop-2-enoyloxy)ethoxy]ethoxy]phenoxy]ethoxy]ethyl 2-methylprop-2-enoate
CID 118333861
2-[2-(heptoxycarbonylamino)ethoxy]ethyl 2-methylprop-2-enoate
CID 129193329
3-[2-[4-[2-[3-(2-methylprop-2-enoyloxy)propylcarbamoyloxy]ethoxy]phenyl]ethoxycarbonylamino]propyl 2-methylprop-2-enoate
CID 118331503
2-[2-[2-[2-(2-phenoxyethoxy)ethoxy]ethoxy]ethoxy]ethyl 2-methylprop-2-enoate
CID 21252575
2-[3-(2-methylprop-2-enoyloxy)-5-[2-(2-methylprop-2-enoyloxy)ethoxy]phenoxy]ethyl 2-methylprop-2-enoate
CID 135209308

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-[2-(3,5-dichlorophenoxy)ethoxy]ethoxy]ethoxycarbonylamino]ethyl 2-methylprop-2-enoate?
The IUPAC name of 2-[2-[2-[2-(3,5-dichlorophenoxy)ethoxy]ethoxy]ethoxycarbonylamino]ethyl 2-methylprop-2-enoate (CID 57069602) is 2-[2-[2-[2-(3,5-dichlorophenoxy)ethoxy]ethoxy]ethoxycarbonylamino]ethyl 2-methylprop-2-enoate.
What is the SMILES notation for 2-[2-[2-[2-(3,5-dichlorophenoxy)ethoxy]ethoxy]ethoxycarbonylamino]ethyl 2-methylprop-2-enoate?
The canonical SMILES for 2-[2-[2-[2-(3,5-dichlorophenoxy)ethoxy]ethoxy]ethoxycarbonylamino]ethyl 2-methylprop-2-enoate is C=C(C)C(=O)OCCNC(=O)OCCOCCOCCOc1cc(Cl)cc(Cl)c1.
What is the InChIKey of 2-[2-[2-[2-(3,5-dichlorophenoxy)ethoxy]ethoxy]ethoxycarbonylamino]ethyl 2-methylprop-2-enoate?
The InChIKey is NGNBUKHBCJPLSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25Cl2NO7/c1-14(2)18(23)28-4-3-22-19(24)29-10-8-26-6-5-25-7-9-27-17-12-15(20)11-16(21)13-17/h11-13H,1,3-10H2,2H3,(H,22,24).
What are the key properties of 2-[2-[2-[2-(3,5-dichlorophenoxy)ethoxy]ethoxy]ethoxycarbonylamino]ethyl 2-methylprop-2-enoate?
2-[2-[2-[2-(3,5-dichlorophenoxy)ethoxy]ethoxy]ethoxycarbonylamino]ethyl 2-methylprop-2-enoate has a molecular weight of 450.32 g/mol, XLogP of 3.25, 14 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-[2-(3,5-dichlorophenoxy)ethoxy]ethoxy]ethoxycarbonylamino]ethyl 2-methylprop-2-enoate is sourced from PubChem (CID 57069602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).