(1S)-N-(2-amino-2-oxoethyl)-N-ethyl-3,3-difluorocyclohexane-1-carboxamide

C11H18F2N2O2 — CID 164643303

IUPAC(1S)-N-(2-amino-2-oxoethyl)-N-ethyl-3,3-difluorocyclohexane-1-carboxamide
SMILESCCN(CC(N)=O)C(=O)[C@H]1CCCC(F)(F)C1
InChIInChI=1S/C11H18F2N2O2/c1-2-15(7-9(14)16)10(17)8-4-3-5-11(12,13)6-8/h8H,2-7H2,1H3,(H2,14,16)/t8-/m0/s1
InChIKeyWWEPNCYUKQQXMK-QMMMGPOBSA-N
MW248.27 g/mol
LogP1.15
Rot. Bonds4

About (1S)-N-(2-amino-2-oxoethyl)-N-ethyl-3,3-difluorocyclohexane-1-carboxamide

(1S)-N-(2-amino-2-oxoethyl)-N-ethyl-3,3-difluorocyclohexane-1-carboxamide (PubChem CID 164643303) has the molecular formula C11H18F2N2O2 and a molecular weight of 248.27 g/mol. Its IUPAC name is (1S)-N-(2-amino-2-oxoethyl)-N-ethyl-3,3-difluorocyclohexane-1-carboxamide.

Molecular Properties

Compound Name(1S)-N-(2-amino-2-oxoethyl)-N-ethyl-3,3-difluorocyclohexane-1-carboxamide
PubChem CID164643303
Molecular FormulaC11H18F2N2O2
Molecular Weight248.27 g/mol
Exact Mass248.13
IUPAC Name(1S)-N-(2-amino-2-oxoethyl)-N-ethyl-3,3-difluorocyclohexane-1-carboxamide
SMILESCCN(CC(N)=O)C(=O)[C@H]1CCCC(F)(F)C1
InChIInChI=1S/C11H18F2N2O2/c1-2-15(7-9(14)16)10(17)8-4-3-5-11(12,13)6-8/h8H,2-7H2,1H3,(H2,14,16)/t8-/m0/s1
InChIKeyWWEPNCYUKQQXMK-QMMMGPOBSA-N
XLogP1.15
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.27
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1S)-N-(2-amino-2-oxoethyl)-N-ethyl-3,3-difluorocyclohexane-1-carboxamide?
The IUPAC name of (1S)-N-(2-amino-2-oxoethyl)-N-ethyl-3,3-difluorocyclohexane-1-carboxamide (CID 164643303) is (1S)-N-(2-amino-2-oxoethyl)-N-ethyl-3,3-difluorocyclohexane-1-carboxamide.
What is the SMILES notation for (1S)-N-(2-amino-2-oxoethyl)-N-ethyl-3,3-difluorocyclohexane-1-carboxamide?
The canonical SMILES for (1S)-N-(2-amino-2-oxoethyl)-N-ethyl-3,3-difluorocyclohexane-1-carboxamide is CCN(CC(N)=O)C(=O)[C@H]1CCCC(F)(F)C1.
What is the InChIKey of (1S)-N-(2-amino-2-oxoethyl)-N-ethyl-3,3-difluorocyclohexane-1-carboxamide?
The InChIKey is WWEPNCYUKQQXMK-QMMMGPOBSA-N. The full InChI is InChI=1S/C11H18F2N2O2/c1-2-15(7-9(14)16)10(17)8-4-3-5-11(12,13)6-8/h8H,2-7H2,1H3,(H2,14,16)/t8-/m0/s1.
What are the key properties of (1S)-N-(2-amino-2-oxoethyl)-N-ethyl-3,3-difluorocyclohexane-1-carboxamide?
(1S)-N-(2-amino-2-oxoethyl)-N-ethyl-3,3-difluorocyclohexane-1-carboxamide has a molecular weight of 248.27 g/mol, XLogP of 1.15, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-N-(2-amino-2-oxoethyl)-N-ethyl-3,3-difluorocyclohexane-1-carboxamide is sourced from PubChem (CID 164643303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).