ethyl 2-[4-[1-(1-amino-3-methylbutyl)cyclobutyl]phenoxy]acetate

C19H29NO3 — CID 59741474

IUPACethyl 2-[4-[1-(1-amino-3-methylbutyl)cyclobutyl]phenoxy]acetate
SMILESCCOC(=O)COc1ccc(C2(C(N)CC(C)C)CCC2)cc1
InChIInChI=1S/C19H29NO3/c1-4-22-18(21)13-23-16-8-6-15(7-9-16)19(10-5-11-19)17(20)12-14(2)3/h6-9,14,17H,4-5,10-13,20H2,1-3H3
InChIKeyVVLDBXNYEOHFFZ-UHFFFAOYSA-N
MW319.45 g/mol
LogP3.42
Rot. Bonds8

About ethyl 2-[4-[1-(1-amino-3-methylbutyl)cyclobutyl]phenoxy]acetate

ethyl 2-[4-[1-(1-amino-3-methylbutyl)cyclobutyl]phenoxy]acetate (PubChem CID 59741474) has the molecular formula C19H29NO3 and a molecular weight of 319.45 g/mol. Its IUPAC name is ethyl 2-[4-[1-(1-amino-3-methylbutyl)cyclobutyl]phenoxy]acetate.

Molecular Properties

Compound Nameethyl 2-[4-[1-(1-amino-3-methylbutyl)cyclobutyl]phenoxy]acetate
PubChem CID59741474
Molecular FormulaC19H29NO3
Molecular Weight319.45 g/mol
Exact Mass319.21
IUPAC Nameethyl 2-[4-[1-(1-amino-3-methylbutyl)cyclobutyl]phenoxy]acetate
SMILESCCOC(=O)COc1ccc(C2(C(N)CC(C)C)CCC2)cc1
InChIInChI=1S/C19H29NO3/c1-4-22-18(21)13-23-16-8-6-15(7-9-16)19(10-5-11-19)17(20)12-14(2)3/h6-9,14,17H,4-5,10-13,20H2,1-3H3
InChIKeyVVLDBXNYEOHFFZ-UHFFFAOYSA-N
XLogP3.42
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.45
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[1-[1-(4-ethoxyphenyl)cyclobutyl]-3-methylbutyl]amino]ethyl butanoate
CID 56596243
ethyl 2-[[1-[1-[4-(iodomethyl)phenyl]cyclobutyl]-3-methylbutyl]amino]acetate
CID 89406424
4-[[1-[1-(4-ethoxyphenyl)cyclobutyl]-3-methylbutyl]amino]-2-ethylbutanamide
CID 66824346
3-methylbutyl 2-(4-ethoxyphenoxy)acetate
CID 78832256
ethyl 2-[4-[2-[(1-aminocyclohexanecarbonyl)amino]ethyl]phenoxy]acetate
CID 119338388
ethyl 1-(4-ethoxyphenyl)cyclobutane-1-carboxylate
CID 71404430
ethyl 2-[3,5-bis(2-ethoxy-2-oxoethoxy)phenoxy]acetate
CID 71361550
ethyl 2-[4-[2-(methylamino)propyl]phenoxy]acetate
CID 113322952
ethyl 2-[4-(ethylamino)phenoxy]acetate
CID 69220443
[4-(2-ethoxy-2-oxoethoxy)phenyl]-trifluoroboranuide
CID 46739273
ethyl (4R)-4-[4-(2-ethoxy-2-oxoethoxy)phenyl]-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 1102738
ethyl 2-[3-(2-methylpropoxy)phenoxy]acetate
CID 86689297

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[4-[1-(1-amino-3-methylbutyl)cyclobutyl]phenoxy]acetate?
The IUPAC name of ethyl 2-[4-[1-(1-amino-3-methylbutyl)cyclobutyl]phenoxy]acetate (CID 59741474) is ethyl 2-[4-[1-(1-amino-3-methylbutyl)cyclobutyl]phenoxy]acetate.
What is the SMILES notation for ethyl 2-[4-[1-(1-amino-3-methylbutyl)cyclobutyl]phenoxy]acetate?
The canonical SMILES for ethyl 2-[4-[1-(1-amino-3-methylbutyl)cyclobutyl]phenoxy]acetate is CCOC(=O)COc1ccc(C2(C(N)CC(C)C)CCC2)cc1.
What is the InChIKey of ethyl 2-[4-[1-(1-amino-3-methylbutyl)cyclobutyl]phenoxy]acetate?
The InChIKey is VVLDBXNYEOHFFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29NO3/c1-4-22-18(21)13-23-16-8-6-15(7-9-16)19(10-5-11-19)17(20)12-14(2)3/h6-9,14,17H,4-5,10-13,20H2,1-3H3.
What are the key properties of ethyl 2-[4-[1-(1-amino-3-methylbutyl)cyclobutyl]phenoxy]acetate?
ethyl 2-[4-[1-(1-amino-3-methylbutyl)cyclobutyl]phenoxy]acetate has a molecular weight of 319.45 g/mol, XLogP of 3.42, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[4-[1-(1-amino-3-methylbutyl)cyclobutyl]phenoxy]acetate is sourced from PubChem (CID 59741474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).