tert-butyl N-[3-[(3-ethoxy-2,2-dimethylcyclobutyl)amino]-2,2-difluoropropyl]carbamate

C16H30F2N2O3 — CID 107257534

IUPACtert-butyl N-[3-[(3-ethoxy-2,2-dimethylcyclobutyl)amino]-2,2-difluoropropyl]carbamate
SMILESCCOC1CC(NCC(F)(F)CNC(=O)OC(C)(C)C)C1(C)C
InChIInChI=1S/C16H30F2N2O3/c1-7-22-12-8-11(15(12,5)6)19-9-16(17,18)10-20-13(21)23-14(2,3)4/h11-12,19H,7-10H2,1-6H3,(H,20,21)
InChIKeyIGIUQPMSOOTNQR-UHFFFAOYSA-N
MW336.42 g/mol
LogP2.94
Rot. Bonds7

About tert-butyl N-[3-[(3-ethoxy-2,2-dimethylcyclobutyl)amino]-2,2-difluoropropyl]carbamate

tert-butyl N-[3-[(3-ethoxy-2,2-dimethylcyclobutyl)amino]-2,2-difluoropropyl]carbamate (PubChem CID 107257534) has the molecular formula C16H30F2N2O3 and a molecular weight of 336.42 g/mol. Its IUPAC name is tert-butyl N-[3-[(3-ethoxy-2,2-dimethylcyclobutyl)amino]-2,2-difluoropropyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[3-[(3-ethoxy-2,2-dimethylcyclobutyl)amino]-2,2-difluoropropyl]carbamate
PubChem CID107257534
Molecular FormulaC16H30F2N2O3
Molecular Weight336.42 g/mol
Exact Mass336.22
IUPAC Nametert-butyl N-[3-[(3-ethoxy-2,2-dimethylcyclobutyl)amino]-2,2-difluoropropyl]carbamate
SMILESCCOC1CC(NCC(F)(F)CNC(=O)OC(C)(C)C)C1(C)C
InChIInChI=1S/C16H30F2N2O3/c1-7-22-12-8-11(15(12,5)6)19-9-16(17,18)10-20-13(21)23-14(2,3)4/h11-12,19H,7-10H2,1-6H3,(H,20,21)
InChIKeyIGIUQPMSOOTNQR-UHFFFAOYSA-N
XLogP2.94
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.42
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[(3-ethoxy-2,2-dimethylcyclobutyl)amino]carbamate
CID 107237358
tert-butyl 2-[(3-ethoxy-2,2-dimethylcyclobutyl)amino]acetate
CID 81463231
tert-butyl N-[3-[(3-ethoxy-2,2-dimethylcyclobutyl)amino]cyclobutyl]carbamate
CID 107239129
tert-butyl N-[3-(cycloheptylamino)-2,2-difluoropropyl]carbamate
CID 107257366
tert-butyl N-[3-[(3-aminocyclopentyl)amino]-2,2-difluoropropyl]carbamate
CID 107257482
2-[(3-ethoxy-2,2-dimethylcyclobutyl)amino]-N-ethylacetamide
CID 64850730
tert-butyl N-[2,2-difluoro-3-[(3-methylcyclohexyl)amino]propyl]carbamate
CID 107257517
cis-(1R,3S)-3-ethoxy-2,2-dimethyl-N-propylcyclobutan-1-amine
CID 95241171
tert-butyl N-[3-[(1-acetylpiperidin-4-yl)amino]-2,2-difluoropropyl]carbamate
CID 104953969
tert-butyl N-[2,2-difluoro-3-[(4-methylcycloheptyl)amino]propyl]carbamate
CID 107257414
tert-butyl N-[2,2-difluoro-3-(2-methylpropylamino)propyl]carbamate
CID 104953993
tert-butyl N-[3-(dicyclopropylmethylamino)-2,2-difluoropropyl]carbamate
CID 104955558

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-[(3-ethoxy-2,2-dimethylcyclobutyl)amino]-2,2-difluoropropyl]carbamate?
The IUPAC name of tert-butyl N-[3-[(3-ethoxy-2,2-dimethylcyclobutyl)amino]-2,2-difluoropropyl]carbamate (CID 107257534) is tert-butyl N-[3-[(3-ethoxy-2,2-dimethylcyclobutyl)amino]-2,2-difluoropropyl]carbamate.
What is the SMILES notation for tert-butyl N-[3-[(3-ethoxy-2,2-dimethylcyclobutyl)amino]-2,2-difluoropropyl]carbamate?
The canonical SMILES for tert-butyl N-[3-[(3-ethoxy-2,2-dimethylcyclobutyl)amino]-2,2-difluoropropyl]carbamate is CCOC1CC(NCC(F)(F)CNC(=O)OC(C)(C)C)C1(C)C.
What is the InChIKey of tert-butyl N-[3-[(3-ethoxy-2,2-dimethylcyclobutyl)amino]-2,2-difluoropropyl]carbamate?
The InChIKey is IGIUQPMSOOTNQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30F2N2O3/c1-7-22-12-8-11(15(12,5)6)19-9-16(17,18)10-20-13(21)23-14(2,3)4/h11-12,19H,7-10H2,1-6H3,(H,20,21).
What are the key properties of tert-butyl N-[3-[(3-ethoxy-2,2-dimethylcyclobutyl)amino]-2,2-difluoropropyl]carbamate?
tert-butyl N-[3-[(3-ethoxy-2,2-dimethylcyclobutyl)amino]-2,2-difluoropropyl]carbamate has a molecular weight of 336.42 g/mol, XLogP of 2.94, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[3-[(3-ethoxy-2,2-dimethylcyclobutyl)amino]-2,2-difluoropropyl]carbamate is sourced from PubChem (CID 107257534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).