tert-butyl N-[4-[2-(1,1-difluoropropan-2-ylamino)ethyl]phenyl]carbamate

C16H24F2N2O2 — CID 107248690

IUPACtert-butyl N-[4-[2-(1,1-difluoropropan-2-ylamino)ethyl]phenyl]carbamate
SMILESCC(NCCc1ccc(NC(=O)OC(C)(C)C)cc1)C(F)F
InChIInChI=1S/C16H24F2N2O2/c1-11(14(17)18)19-10-9-12-5-7-13(8-6-12)20-15(21)22-16(2,3)4/h5-8,11,14,19H,9-10H2,1-4H3,(H,20,21)
InChIKeyZGLKLMDNIIAIIW-UHFFFAOYSA-N
MW314.38 g/mol
LogP3.82
Rot. Bonds6

About tert-butyl N-[4-[2-(1,1-difluoropropan-2-ylamino)ethyl]phenyl]carbamate

tert-butyl N-[4-[2-(1,1-difluoropropan-2-ylamino)ethyl]phenyl]carbamate (PubChem CID 107248690) has the molecular formula C16H24F2N2O2 and a molecular weight of 314.38 g/mol. Its IUPAC name is tert-butyl N-[4-[2-(1,1-difluoropropan-2-ylamino)ethyl]phenyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[4-[2-(1,1-difluoropropan-2-ylamino)ethyl]phenyl]carbamate
PubChem CID107248690
Molecular FormulaC16H24F2N2O2
Molecular Weight314.38 g/mol
Exact Mass314.18
IUPAC Nametert-butyl N-[4-[2-(1,1-difluoropropan-2-ylamino)ethyl]phenyl]carbamate
SMILESCC(NCCc1ccc(NC(=O)OC(C)(C)C)cc1)C(F)F
InChIInChI=1S/C16H24F2N2O2/c1-11(14(17)18)19-10-9-12-5-7-13(8-6-12)20-15(21)22-16(2,3)4/h5-8,11,14,19H,9-10H2,1-4H3,(H,20,21)
InChIKeyZGLKLMDNIIAIIW-UHFFFAOYSA-N
XLogP3.82
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.38
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-[2-[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]ethylamino]propanoate
CID 103748116
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tert-butyl N-[4-(2,2-difluoroethyl)phenyl]carbamate
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3-methyl-2-[methyl-[2-[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]ethyl]amino]butanoic acid
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tert-butyl N-[4-[3-(propan-2-ylsulfamoylamino)propyl]phenyl]carbamate
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tert-butyl N-[4-[(trifluoromethylamino)methyl]phenyl]carbamate
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tert-butyl N-(4-propan-2-ylphenyl)carbamate
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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[4-[2-(1,1-difluoropropan-2-ylamino)ethyl]phenyl]carbamate?
The IUPAC name of tert-butyl N-[4-[2-(1,1-difluoropropan-2-ylamino)ethyl]phenyl]carbamate (CID 107248690) is tert-butyl N-[4-[2-(1,1-difluoropropan-2-ylamino)ethyl]phenyl]carbamate.
What is the SMILES notation for tert-butyl N-[4-[2-(1,1-difluoropropan-2-ylamino)ethyl]phenyl]carbamate?
The canonical SMILES for tert-butyl N-[4-[2-(1,1-difluoropropan-2-ylamino)ethyl]phenyl]carbamate is CC(NCCc1ccc(NC(=O)OC(C)(C)C)cc1)C(F)F.
What is the InChIKey of tert-butyl N-[4-[2-(1,1-difluoropropan-2-ylamino)ethyl]phenyl]carbamate?
The InChIKey is ZGLKLMDNIIAIIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24F2N2O2/c1-11(14(17)18)19-10-9-12-5-7-13(8-6-12)20-15(21)22-16(2,3)4/h5-8,11,14,19H,9-10H2,1-4H3,(H,20,21).
What are the key properties of tert-butyl N-[4-[2-(1,1-difluoropropan-2-ylamino)ethyl]phenyl]carbamate?
tert-butyl N-[4-[2-(1,1-difluoropropan-2-ylamino)ethyl]phenyl]carbamate has a molecular weight of 314.38 g/mol, XLogP of 3.82, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[4-[2-(1,1-difluoropropan-2-ylamino)ethyl]phenyl]carbamate is sourced from PubChem (CID 107248690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).