tert-butyl N-tert-butyl-N-[2-(2,6-difluoroanilino)ethyl]carbamate

C17H26F2N2O2 — CID 107444769

IUPACtert-butyl N-tert-butyl-N-[2-(2,6-difluoroanilino)ethyl]carbamate
SMILESCC(C)(C)OC(=O)N(CCNc1c(F)cccc1F)C(C)(C)C
InChIInChI=1S/C17H26F2N2O2/c1-16(2,3)21(15(22)23-17(4,5)6)11-10-20-14-12(18)8-7-9-13(14)19/h7-9,20H,10-11H2,1-6H3
InChIKeyQSFXORIGNDDKOT-UHFFFAOYSA-N
MW328.40 g/mol
LogP4.41
Rot. Bonds4

About tert-butyl N-tert-butyl-N-[2-(2,6-difluoroanilino)ethyl]carbamate

tert-butyl N-tert-butyl-N-[2-(2,6-difluoroanilino)ethyl]carbamate (PubChem CID 107444769) has the molecular formula C17H26F2N2O2 and a molecular weight of 328.40 g/mol. Its IUPAC name is tert-butyl N-tert-butyl-N-[2-(2,6-difluoroanilino)ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-tert-butyl-N-[2-(2,6-difluoroanilino)ethyl]carbamate
PubChem CID107444769
Molecular FormulaC17H26F2N2O2
Molecular Weight328.40 g/mol
Exact Mass328.20
IUPAC Nametert-butyl N-tert-butyl-N-[2-(2,6-difluoroanilino)ethyl]carbamate
SMILESCC(C)(C)OC(=O)N(CCNc1c(F)cccc1F)C(C)(C)C
InChIInChI=1S/C17H26F2N2O2/c1-16(2,3)21(15(22)23-17(4,5)6)11-10-20-14-12(18)8-7-9-13(14)19/h7-9,20H,10-11H2,1-6H3
InChIKeyQSFXORIGNDDKOT-UHFFFAOYSA-N
XLogP4.41
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.40
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 107445236
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tert-butyl N-tert-butyl-N-[2-[(6-chloro-3-pyridinyl)amino]ethyl]carbamate
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tert-butyl N-tert-butyl-N-[2-[(4-hydroxyphenyl)methylamino]ethyl]carbamate
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tert-butyl N-tert-butyl-N-[2-(1H-pyrazol-4-ylamino)ethyl]carbamate
CID 107444832
tert-butyl N-tert-butyl-N-[2-(furan-2-ylmethylamino)ethyl]carbamate
CID 107444427
tert-butyl N-tert-butyl-N-[2-(2-cyanoanilino)ethyl]carbamate
CID 107444554
tert-butyl N-tert-butyl-N-[2-(tert-butylamino)ethyl]carbamate
CID 107444428
tert-butyl N-tert-butyl-N-[2-(cyclopropylmethylamino)ethyl]carbamate
CID 107444454
tert-butyl N-tert-butyl-N-[2-(methoxyamino)ethyl]carbamate
CID 107445980
tert-butyl N-tert-butyl-N-[2-(2-methoxyethylamino)ethyl]carbamate
CID 107444446
tert-butyl 4-(2,6-difluoroanilino)-4-oxobutanoate
CID 106707000

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-tert-butyl-N-[2-(2,6-difluoroanilino)ethyl]carbamate?
The IUPAC name of tert-butyl N-tert-butyl-N-[2-(2,6-difluoroanilino)ethyl]carbamate (CID 107444769) is tert-butyl N-tert-butyl-N-[2-(2,6-difluoroanilino)ethyl]carbamate.
What is the SMILES notation for tert-butyl N-tert-butyl-N-[2-(2,6-difluoroanilino)ethyl]carbamate?
The canonical SMILES for tert-butyl N-tert-butyl-N-[2-(2,6-difluoroanilino)ethyl]carbamate is CC(C)(C)OC(=O)N(CCNc1c(F)cccc1F)C(C)(C)C.
What is the InChIKey of tert-butyl N-tert-butyl-N-[2-(2,6-difluoroanilino)ethyl]carbamate?
The InChIKey is QSFXORIGNDDKOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26F2N2O2/c1-16(2,3)21(15(22)23-17(4,5)6)11-10-20-14-12(18)8-7-9-13(14)19/h7-9,20H,10-11H2,1-6H3.
What are the key properties of tert-butyl N-tert-butyl-N-[2-(2,6-difluoroanilino)ethyl]carbamate?
tert-butyl N-tert-butyl-N-[2-(2,6-difluoroanilino)ethyl]carbamate has a molecular weight of 328.40 g/mol, XLogP of 4.41, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-tert-butyl-N-[2-(2,6-difluoroanilino)ethyl]carbamate is sourced from PubChem (CID 107444769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).