1-amino-N-(3,3-difluoro-2-hydroxypropyl)-3-ethoxy-2,2-dimethylcyclobutane-1-carboxamide

C12H22F2N2O3 — CID 105055985

IUPAC1-amino-N-(3,3-difluoro-2-hydroxypropyl)-3-ethoxy-2,2-dimethylcyclobutane-1-carboxamide
SMILESCCOC1CC(N)(C(=O)NCC(O)C(F)F)C1(C)C
InChIInChI=1S/C12H22F2N2O3/c1-4-19-8-5-12(15,11(8,2)3)10(18)16-6-7(17)9(13)14/h7-9,17H,4-6,15H2,1-3H3,(H,16,18)
InChIKeyKNVRSHOKLOCDLK-UHFFFAOYSA-N
MW280.31 g/mol
LogP0.26
Rot. Bonds6

About 1-amino-N-(3,3-difluoro-2-hydroxypropyl)-3-ethoxy-2,2-dimethylcyclobutane-1-carboxamide

1-amino-N-(3,3-difluoro-2-hydroxypropyl)-3-ethoxy-2,2-dimethylcyclobutane-1-carboxamide (PubChem CID 105055985) has the molecular formula C12H22F2N2O3 and a molecular weight of 280.31 g/mol. Its IUPAC name is 1-amino-N-(3,3-difluoro-2-hydroxypropyl)-3-ethoxy-2,2-dimethylcyclobutane-1-carboxamide.

Molecular Properties

Compound Name1-amino-N-(3,3-difluoro-2-hydroxypropyl)-3-ethoxy-2,2-dimethylcyclobutane-1-carboxamide
PubChem CID105055985
Molecular FormulaC12H22F2N2O3
Molecular Weight280.31 g/mol
Exact Mass280.16
IUPAC Name1-amino-N-(3,3-difluoro-2-hydroxypropyl)-3-ethoxy-2,2-dimethylcyclobutane-1-carboxamide
SMILESCCOC1CC(N)(C(=O)NCC(O)C(F)F)C1(C)C
InChIInChI=1S/C12H22F2N2O3/c1-4-19-8-5-12(15,11(8,2)3)10(18)16-6-7(17)9(13)14/h7-9,17H,4-6,15H2,1-3H3,(H,16,18)
InChIKeyKNVRSHOKLOCDLK-UHFFFAOYSA-N
XLogP0.26
TPSA84.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.31
LogP ≤ 50.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-amino-N-(3,3-difluoro-2-hydroxypropyl)-3-ethoxy-2,2-dimethylcyclobutane-1-carboxamide?
The IUPAC name of 1-amino-N-(3,3-difluoro-2-hydroxypropyl)-3-ethoxy-2,2-dimethylcyclobutane-1-carboxamide (CID 105055985) is 1-amino-N-(3,3-difluoro-2-hydroxypropyl)-3-ethoxy-2,2-dimethylcyclobutane-1-carboxamide.
What is the SMILES notation for 1-amino-N-(3,3-difluoro-2-hydroxypropyl)-3-ethoxy-2,2-dimethylcyclobutane-1-carboxamide?
The canonical SMILES for 1-amino-N-(3,3-difluoro-2-hydroxypropyl)-3-ethoxy-2,2-dimethylcyclobutane-1-carboxamide is CCOC1CC(N)(C(=O)NCC(O)C(F)F)C1(C)C.
What is the InChIKey of 1-amino-N-(3,3-difluoro-2-hydroxypropyl)-3-ethoxy-2,2-dimethylcyclobutane-1-carboxamide?
The InChIKey is KNVRSHOKLOCDLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22F2N2O3/c1-4-19-8-5-12(15,11(8,2)3)10(18)16-6-7(17)9(13)14/h7-9,17H,4-6,15H2,1-3H3,(H,16,18).
What are the key properties of 1-amino-N-(3,3-difluoro-2-hydroxypropyl)-3-ethoxy-2,2-dimethylcyclobutane-1-carboxamide?
1-amino-N-(3,3-difluoro-2-hydroxypropyl)-3-ethoxy-2,2-dimethylcyclobutane-1-carboxamide has a molecular weight of 280.31 g/mol, XLogP of 0.26, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-(3,3-difluoro-2-hydroxypropyl)-3-ethoxy-2,2-dimethylcyclobutane-1-carboxamide is sourced from PubChem (CID 105055985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).