tert-butyl N-[2-[4-[(3-fluorophenyl)methoxy]-3-methoxyphenyl]ethyl]carbamate

C21H26FNO4 — CID 59596853

IUPACtert-butyl N-[2-[4-[(3-fluorophenyl)methoxy]-3-methoxyphenyl]ethyl]carbamate
SMILESCOc1cc(CCNC(=O)OC(C)(C)C)ccc1OCc1cccc(F)c1
InChIInChI=1S/C21H26FNO4/c1-21(2,3)27-20(24)23-11-10-15-8-9-18(19(13-15)25-4)26-14-16-6-5-7-17(22)12-16/h5-9,12-13H,10-11,14H2,1-4H3,(H,23,24)
InChIKeyOOFBZHYFHQRZOM-UHFFFAOYSA-N
MW375.44 g/mol
LogP4.48
Rot. Bonds7

About tert-butyl N-[2-[4-[(3-fluorophenyl)methoxy]-3-methoxyphenyl]ethyl]carbamate

tert-butyl N-[2-[4-[(3-fluorophenyl)methoxy]-3-methoxyphenyl]ethyl]carbamate (PubChem CID 59596853) has the molecular formula C21H26FNO4 and a molecular weight of 375.44 g/mol. Its IUPAC name is tert-butyl N-[2-[4-[(3-fluorophenyl)methoxy]-3-methoxyphenyl]ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[4-[(3-fluorophenyl)methoxy]-3-methoxyphenyl]ethyl]carbamate
PubChem CID59596853
Molecular FormulaC21H26FNO4
Molecular Weight375.44 g/mol
Exact Mass375.18
IUPAC Nametert-butyl N-[2-[4-[(3-fluorophenyl)methoxy]-3-methoxyphenyl]ethyl]carbamate
SMILESCOc1cc(CCNC(=O)OC(C)(C)C)ccc1OCc1cccc(F)c1
InChIInChI=1S/C21H26FNO4/c1-21(2,3)27-20(24)23-11-10-15-8-9-18(19(13-15)25-4)26-14-16-6-5-7-17(22)12-16/h5-9,12-13H,10-11,14H2,1-4H3,(H,23,24)
InChIKeyOOFBZHYFHQRZOM-UHFFFAOYSA-N
XLogP4.48
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.44
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[2-[4-[(3-fluorophenyl)methoxy]-3-methoxyphenyl]ethylamino]propanoate
CID 59596823
2-[2-[4-[(3-fluorophenyl)methoxy]-3-methoxyphenyl]ethylamino]-N-methylacetamide
CID 59596835
tert-butyl N-[2-[3-methoxy-4-(trideuteriomethoxy)phenyl]ethyl]carbamate
CID 178156317
tert-butyl N-[2-amino-4-(3-fluorophenyl)-2-methylbutyl]carbamate
CID 84730991
tert-butyl N-[2-[[2-(4-fluorophenyl)acetyl]-[(3-methoxy-4-phenylmethoxyphenyl)methyl]amino]ethyl]carbamate
CID 11713374
tert-butyl N-[2-(4-amino-3-methoxyphenyl)ethyl]carbamate
CID 22981165
4-(chloromethyl)-1-[(3-fluorophenyl)methoxy]-2-methoxybenzene
CID 29053593
tert-butyl N-[3-[[N-[2-(3-fluorophenyl)ethyl]-N'-methylcarbamimidoyl]amino]propyl]carbamate;hydroiodide
CID 111394726
tert-butyl N-[3-[[4-[(3-fluorophenyl)methoxy]phenyl]methylamino]-3-oxopropyl]carbamate
CID 38525612
tert-butyl N-[3-[(3-methoxy-4-phenylmethoxyphenyl)methyl-methylamino]-3-oxopropyl]carbamate
CID 9226000
N-ethyl-2-[4-[[2-(3-fluorophenyl)ethylamino]methyl]-2-methoxyphenoxy]acetamide
CID 119109393
2-[2-[4-[(3-fluorophenyl)methoxy]-3-methoxyphenyl]ethylamino]-2-phenyl-1-pyrrolidin-1-ylethanone
CID 66591901

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[4-[(3-fluorophenyl)methoxy]-3-methoxyphenyl]ethyl]carbamate?
The IUPAC name of tert-butyl N-[2-[4-[(3-fluorophenyl)methoxy]-3-methoxyphenyl]ethyl]carbamate (CID 59596853) is tert-butyl N-[2-[4-[(3-fluorophenyl)methoxy]-3-methoxyphenyl]ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-[4-[(3-fluorophenyl)methoxy]-3-methoxyphenyl]ethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-[4-[(3-fluorophenyl)methoxy]-3-methoxyphenyl]ethyl]carbamate is COc1cc(CCNC(=O)OC(C)(C)C)ccc1OCc1cccc(F)c1.
What is the InChIKey of tert-butyl N-[2-[4-[(3-fluorophenyl)methoxy]-3-methoxyphenyl]ethyl]carbamate?
The InChIKey is OOFBZHYFHQRZOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26FNO4/c1-21(2,3)27-20(24)23-11-10-15-8-9-18(19(13-15)25-4)26-14-16-6-5-7-17(22)12-16/h5-9,12-13H,10-11,14H2,1-4H3,(H,23,24).
What are the key properties of tert-butyl N-[2-[4-[(3-fluorophenyl)methoxy]-3-methoxyphenyl]ethyl]carbamate?
tert-butyl N-[2-[4-[(3-fluorophenyl)methoxy]-3-methoxyphenyl]ethyl]carbamate has a molecular weight of 375.44 g/mol, XLogP of 4.48, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-[4-[(3-fluorophenyl)methoxy]-3-methoxyphenyl]ethyl]carbamate is sourced from PubChem (CID 59596853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).