tert-butyl N-[2-(2-ethoxy-4-fluoroanilino)propyl]carbamate

C16H25FN2O3 — CID 103388683

IUPACtert-butyl N-[2-(2-ethoxy-4-fluoroanilino)propyl]carbamate
SMILESCCOc1cc(F)ccc1NC(C)CNC(=O)OC(C)(C)C
InChIInChI=1S/C16H25FN2O3/c1-6-21-14-9-12(17)7-8-13(14)19-11(2)10-18-15(20)22-16(3,4)5/h7-9,11,19H,6,10H2,1-5H3,(H,18,20)
InChIKeyJWAZENAYWJQGLW-UHFFFAOYSA-N
MW312.39 g/mol
LogP3.55
Rot. Bonds6

About tert-butyl N-[2-(2-ethoxy-4-fluoroanilino)propyl]carbamate

tert-butyl N-[2-(2-ethoxy-4-fluoroanilino)propyl]carbamate (PubChem CID 103388683) has the molecular formula C16H25FN2O3 and a molecular weight of 312.39 g/mol. Its IUPAC name is tert-butyl N-[2-(2-ethoxy-4-fluoroanilino)propyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-(2-ethoxy-4-fluoroanilino)propyl]carbamate
PubChem CID103388683
Molecular FormulaC16H25FN2O3
Molecular Weight312.39 g/mol
Exact Mass312.18
IUPAC Nametert-butyl N-[2-(2-ethoxy-4-fluoroanilino)propyl]carbamate
SMILESCCOc1cc(F)ccc1NC(C)CNC(=O)OC(C)(C)C
InChIInChI=1S/C16H25FN2O3/c1-6-21-14-9-12(17)7-8-13(14)19-11(2)10-18-15(20)22-16(3,4)5/h7-9,11,19H,6,10H2,1-5H3,(H,18,20)
InChIKeyJWAZENAYWJQGLW-UHFFFAOYSA-N
XLogP3.55
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.39
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[2-(4-fluoro-2-methylanilino)propyl]carbamate
CID 103387299
tert-butyl N-[2-(2-bromo-5-fluoroanilino)propyl]carbamate
CID 107632654
methyl 4-fluoro-2-[1-[(2-methylpropan-2-yl)oxycarbonylamino]propan-2-ylamino]benzoate
CID 103388774
tert-butyl N-[2-(4-ethoxy-3-methoxyanilino)propyl]carbamate
CID 103388467
tert-butyl N-[2-[1-(4-fluoro-2-hydroxyphenyl)ethylamino]propyl]carbamate
CID 107248495
tert-butyl N-[2-[2-fluoro-5-(trifluoromethyl)anilino]propyl]carbamate
CID 103389891
1-(2-ethoxy-4-fluorophenyl)-3-(3-methylbutyl)urea
CID 47237901
2-(2-ethoxy-4-fluoroanilino)-N-(ethylcarbamoyl)propanamide
CID 47062079
methyl 4-fluoro-3-[1-[(2-methylpropan-2-yl)oxycarbonylamino]propan-2-ylamino]benzoate
CID 103388148
tert-butyl N-[2-(4-fluoro-2-propan-2-ylphenoxy)propyl]carbamate
CID 145230413
1-(2-ethoxy-4-fluorophenyl)-3-(3-hydroxybutyl)urea
CID 111336857
2-ethoxy-4-fluoro-N-(2-methylpentyl)aniline
CID 43729973

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-(2-ethoxy-4-fluoroanilino)propyl]carbamate?
The IUPAC name of tert-butyl N-[2-(2-ethoxy-4-fluoroanilino)propyl]carbamate (CID 103388683) is tert-butyl N-[2-(2-ethoxy-4-fluoroanilino)propyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-(2-ethoxy-4-fluoroanilino)propyl]carbamate?
The canonical SMILES for tert-butyl N-[2-(2-ethoxy-4-fluoroanilino)propyl]carbamate is CCOc1cc(F)ccc1NC(C)CNC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[2-(2-ethoxy-4-fluoroanilino)propyl]carbamate?
The InChIKey is JWAZENAYWJQGLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25FN2O3/c1-6-21-14-9-12(17)7-8-13(14)19-11(2)10-18-15(20)22-16(3,4)5/h7-9,11,19H,6,10H2,1-5H3,(H,18,20).
What are the key properties of tert-butyl N-[2-(2-ethoxy-4-fluoroanilino)propyl]carbamate?
tert-butyl N-[2-(2-ethoxy-4-fluoroanilino)propyl]carbamate has a molecular weight of 312.39 g/mol, XLogP of 3.55, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-(2-ethoxy-4-fluoroanilino)propyl]carbamate is sourced from PubChem (CID 103388683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).