2-[[3-(3-ethylphenoxy)-2-(1-hydroxyprop-2-enoxy)propoxy]carbonylamino]ethyl acetate

C19H27NO7 — CID 138566953

IUPAC2-[[3-(3-ethylphenoxy)-2-(1-hydroxyprop-2-enoxy)propoxy]carbonylamino]ethyl acetate
SMILESC=CC(O)OC(COC(=O)NCCOC(C)=O)COc1cccc(CC)c1
InChIInChI=1S/C19H27NO7/c1-4-15-7-6-8-16(11-15)25-12-17(27-18(22)5-2)13-26-19(23)20-9-10-24-14(3)21/h5-8,11,17-18,22H,2,4,9-10,12-13H2,1,3H3,(H,20,23)
InChIKeyOYNSZWIESPNTGP-UHFFFAOYSA-N
MW381.43 g/mol
LogP1.81
Rot. Bonds12

About 2-[[3-(3-ethylphenoxy)-2-(1-hydroxyprop-2-enoxy)propoxy]carbonylamino]ethyl acetate

2-[[3-(3-ethylphenoxy)-2-(1-hydroxyprop-2-enoxy)propoxy]carbonylamino]ethyl acetate (PubChem CID 138566953) has the molecular formula C19H27NO7 and a molecular weight of 381.43 g/mol. Its IUPAC name is 2-[[3-(3-ethylphenoxy)-2-(1-hydroxyprop-2-enoxy)propoxy]carbonylamino]ethyl acetate.

Molecular Properties

Compound Name2-[[3-(3-ethylphenoxy)-2-(1-hydroxyprop-2-enoxy)propoxy]carbonylamino]ethyl acetate
PubChem CID138566953
Molecular FormulaC19H27NO7
Molecular Weight381.43 g/mol
Exact Mass381.18
IUPAC Name2-[[3-(3-ethylphenoxy)-2-(1-hydroxyprop-2-enoxy)propoxy]carbonylamino]ethyl acetate
SMILESC=CC(O)OC(COC(=O)NCCOC(C)=O)COc1cccc(CC)c1
InChIInChI=1S/C19H27NO7/c1-4-15-7-6-8-16(11-15)25-12-17(27-18(22)5-2)13-26-19(23)20-9-10-24-14(3)21/h5-8,11,17-18,22H,2,4,9-10,12-13H2,1,3H3,(H,20,23)
InChIKeyOYNSZWIESPNTGP-UHFFFAOYSA-N
XLogP1.81
TPSA103.32 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds12
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.43
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 2-[[3-(3-ethylphenoxy)-2-(1-hydroxyprop-2-enoxy)propoxy]carbonylamino]ethyl acetate 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-[[hydroxy-[1-(3-methylphenoxy)-3-prop-2-enoyloxypropan-2-yl]oxymethyl]amino]ethyl prop-2-enoate
CID 123206070
3-[[3-[2-[3-(2-methylprop-2-enoyloxy)propylcarbamoyloxy]-3-phenoxypropoxy]phenyl]methoxycarbonylamino]propyl 2-methylprop-2-enoate
CID 118331563
2-(3-ethylphenoxy)-N-prop-2-enylacetamide
CID 19177242
(2S)-3-(3-ethylphenoxy)-2-methoxypropan-1-amine
CID 70653682
1-(4-acetylphenyl)-3-[2-(3-ethylphenoxy)ethyl]urea
CID 112971952
1-(2-but-3-enoxyethylamino)-3-(3-ethylphenoxy)propan-2-ol
CID 106401529
1-(2,6-difluorophenyl)-3-[2-(3-ethylphenoxy)ethyl]urea
CID 112971994
1-(2-aminophenyl)-2-(3-ethylphenoxy)ethanol
CID 62267926
N-[2-(3-ethylphenoxy)ethyl]-2-(3-methylphenyl)acetamide
CID 113100017
ethyl 4-[2-(3-ethylphenoxy)ethylcarbamoylamino]benzoate
CID 112971975
4-(3-ethylphenoxy)butanamide
CID 82040637
1-(3-ethylphenoxy)-3,3-dimethylbutan-2-amine
CID 43211628

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(3-ethylphenoxy)-2-(1-hydroxyprop-2-enoxy)propoxy]carbonylamino]ethyl acetate?
The IUPAC name of 2-[[3-(3-ethylphenoxy)-2-(1-hydroxyprop-2-enoxy)propoxy]carbonylamino]ethyl acetate (CID 138566953) is 2-[[3-(3-ethylphenoxy)-2-(1-hydroxyprop-2-enoxy)propoxy]carbonylamino]ethyl acetate.
What is the SMILES notation for 2-[[3-(3-ethylphenoxy)-2-(1-hydroxyprop-2-enoxy)propoxy]carbonylamino]ethyl acetate?
The canonical SMILES for 2-[[3-(3-ethylphenoxy)-2-(1-hydroxyprop-2-enoxy)propoxy]carbonylamino]ethyl acetate is C=CC(O)OC(COC(=O)NCCOC(C)=O)COc1cccc(CC)c1.
What is the InChIKey of 2-[[3-(3-ethylphenoxy)-2-(1-hydroxyprop-2-enoxy)propoxy]carbonylamino]ethyl acetate?
The InChIKey is OYNSZWIESPNTGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27NO7/c1-4-15-7-6-8-16(11-15)25-12-17(27-18(22)5-2)13-26-19(23)20-9-10-24-14(3)21/h5-8,11,17-18,22H,2,4,9-10,12-13H2,1,3H3,(H,20,23).
What are the key properties of 2-[[3-(3-ethylphenoxy)-2-(1-hydroxyprop-2-enoxy)propoxy]carbonylamino]ethyl acetate?
2-[[3-(3-ethylphenoxy)-2-(1-hydroxyprop-2-enoxy)propoxy]carbonylamino]ethyl acetate has a molecular weight of 381.43 g/mol, XLogP of 1.81, 12 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(3-ethylphenoxy)-2-(1-hydroxyprop-2-enoxy)propoxy]carbonylamino]ethyl acetate is sourced from PubChem (CID 138566953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).