N-[[(2R,3S,4R)-4-[(4,4-difluorocyclohexyl)amino]-3-hydroxyoxolan-2-yl]methyl]-3,3-dimethylbutanamide

C17H30F2N2O3 — CID 75536517

IUPACN-[[(2R,3S,4R)-4-[(4,4-difluorocyclohexyl)amino]-3-hydroxyoxolan-2-yl]methyl]-3,3-dimethylbutanamide
SMILESCC(C)(C)CC(=O)NC[C@H]1OC[C@@H](NC2CCC(F)(F)CC2)[C@@H]1O
InChIInChI=1S/C17H30F2N2O3/c1-16(2,3)8-14(22)20-9-13-15(23)12(10-24-13)21-11-4-6-17(18,19)7-5-11/h11-13,15,21,23H,4-10H2,1-3H3,(H,20,22)/t12-,13-,15+/m1/s1
InChIKeyIZDILAHNFPUJST-NFAWXSAZSA-N
MW348.43 g/mol
LogP1.83
Rot. Bonds5

About N-[[(2R,3S,4R)-4-[(4,4-difluorocyclohexyl)amino]-3-hydroxyoxolan-2-yl]methyl]-3,3-dimethylbutanamide

N-[[(2R,3S,4R)-4-[(4,4-difluorocyclohexyl)amino]-3-hydroxyoxolan-2-yl]methyl]-3,3-dimethylbutanamide (PubChem CID 75536517) has the molecular formula C17H30F2N2O3 and a molecular weight of 348.43 g/mol. Its IUPAC name is N-[[(2R,3S,4R)-4-[(4,4-difluorocyclohexyl)amino]-3-hydroxyoxolan-2-yl]methyl]-3,3-dimethylbutanamide.

Molecular Properties

Compound NameN-[[(2R,3S,4R)-4-[(4,4-difluorocyclohexyl)amino]-3-hydroxyoxolan-2-yl]methyl]-3,3-dimethylbutanamide
PubChem CID75536517
Molecular FormulaC17H30F2N2O3
Molecular Weight348.43 g/mol
Exact Mass348.22
IUPAC NameN-[[(2R,3S,4R)-4-[(4,4-difluorocyclohexyl)amino]-3-hydroxyoxolan-2-yl]methyl]-3,3-dimethylbutanamide
SMILESCC(C)(C)CC(=O)NC[C@H]1OC[C@@H](NC2CCC(F)(F)CC2)[C@@H]1O
InChIInChI=1S/C17H30F2N2O3/c1-16(2,3)8-14(22)20-9-13-15(23)12(10-24-13)21-11-4-6-17(18,19)7-5-11/h11-13,15,21,23H,4-10H2,1-3H3,(H,20,22)/t12-,13-,15+/m1/s1
InChIKeyIZDILAHNFPUJST-NFAWXSAZSA-N
XLogP1.83
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.43
LogP ≤ 51.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[(2R,3S,4R)-4-[(4,4-difluorocyclohexyl)amino]-3-hydroxyoxolan-2-yl]methyl]-3,3-dimethylbutanamide?
The IUPAC name of N-[[(2R,3S,4R)-4-[(4,4-difluorocyclohexyl)amino]-3-hydroxyoxolan-2-yl]methyl]-3,3-dimethylbutanamide (CID 75536517) is N-[[(2R,3S,4R)-4-[(4,4-difluorocyclohexyl)amino]-3-hydroxyoxolan-2-yl]methyl]-3,3-dimethylbutanamide.
What is the SMILES notation for N-[[(2R,3S,4R)-4-[(4,4-difluorocyclohexyl)amino]-3-hydroxyoxolan-2-yl]methyl]-3,3-dimethylbutanamide?
The canonical SMILES for N-[[(2R,3S,4R)-4-[(4,4-difluorocyclohexyl)amino]-3-hydroxyoxolan-2-yl]methyl]-3,3-dimethylbutanamide is CC(C)(C)CC(=O)NC[C@H]1OC[C@@H](NC2CCC(F)(F)CC2)[C@@H]1O.
What is the InChIKey of N-[[(2R,3S,4R)-4-[(4,4-difluorocyclohexyl)amino]-3-hydroxyoxolan-2-yl]methyl]-3,3-dimethylbutanamide?
The InChIKey is IZDILAHNFPUJST-NFAWXSAZSA-N. The full InChI is InChI=1S/C17H30F2N2O3/c1-16(2,3)8-14(22)20-9-13-15(23)12(10-24-13)21-11-4-6-17(18,19)7-5-11/h11-13,15,21,23H,4-10H2,1-3H3,(H,20,22)/t12-,13-,15+/m1/s1.
What are the key properties of N-[[(2R,3S,4R)-4-[(4,4-difluorocyclohexyl)amino]-3-hydroxyoxolan-2-yl]methyl]-3,3-dimethylbutanamide?
N-[[(2R,3S,4R)-4-[(4,4-difluorocyclohexyl)amino]-3-hydroxyoxolan-2-yl]methyl]-3,3-dimethylbutanamide has a molecular weight of 348.43 g/mol, XLogP of 1.83, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2R,3S,4R)-4-[(4,4-difluorocyclohexyl)amino]-3-hydroxyoxolan-2-yl]methyl]-3,3-dimethylbutanamide is sourced from PubChem (CID 75536517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).