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

C15H24F2N2O3 — CID 75536536

IUPACN-[[(2R,3S,4R)-4-[(4,4-difluorocyclohexyl)amino]-3-hydroxyoxolan-2-yl]methyl]cyclopropanecarboxamide
SMILESO=C(NC[C@H]1OC[C@@H](NC2CCC(F)(F)CC2)[C@@H]1O)C1CC1
InChIInChI=1S/C15H24F2N2O3/c16-15(17)5-3-10(4-6-15)19-11-8-22-12(13(11)20)7-18-14(21)9-1-2-9/h9-13,19-20H,1-8H2,(H,18,21)/t11-,12-,13+/m1/s1
InChIKeyPLDODJQHYFEKDE-UPJWGTAASA-N
MW318.36 g/mol
LogP0.81
Rot. Bonds5

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

N-[[(2R,3S,4R)-4-[(4,4-difluorocyclohexyl)amino]-3-hydroxyoxolan-2-yl]methyl]cyclopropanecarboxamide (PubChem CID 75536536) has the molecular formula C15H24F2N2O3 and a molecular weight of 318.36 g/mol. Its IUPAC name is N-[[(2R,3S,4R)-4-[(4,4-difluorocyclohexyl)amino]-3-hydroxyoxolan-2-yl]methyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[[(2R,3S,4R)-4-[(4,4-difluorocyclohexyl)amino]-3-hydroxyoxolan-2-yl]methyl]cyclopropanecarboxamide
PubChem CID75536536
Molecular FormulaC15H24F2N2O3
Molecular Weight318.36 g/mol
Exact Mass318.18
IUPAC NameN-[[(2R,3S,4R)-4-[(4,4-difluorocyclohexyl)amino]-3-hydroxyoxolan-2-yl]methyl]cyclopropanecarboxamide
SMILESO=C(NC[C@H]1OC[C@@H](NC2CCC(F)(F)CC2)[C@@H]1O)C1CC1
InChIInChI=1S/C15H24F2N2O3/c16-15(17)5-3-10(4-6-15)19-11-8-22-12(13(11)20)7-18-14(21)9-1-2-9/h9-13,19-20H,1-8H2,(H,18,21)/t11-,12-,13+/m1/s1
InChIKeyPLDODJQHYFEKDE-UPJWGTAASA-N
XLogP0.81
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.36
LogP ≤ 50.81
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]cyclopropanecarboxamide?
The IUPAC name of N-[[(2R,3S,4R)-4-[(4,4-difluorocyclohexyl)amino]-3-hydroxyoxolan-2-yl]methyl]cyclopropanecarboxamide (CID 75536536) is N-[[(2R,3S,4R)-4-[(4,4-difluorocyclohexyl)amino]-3-hydroxyoxolan-2-yl]methyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[[(2R,3S,4R)-4-[(4,4-difluorocyclohexyl)amino]-3-hydroxyoxolan-2-yl]methyl]cyclopropanecarboxamide?
The canonical SMILES for N-[[(2R,3S,4R)-4-[(4,4-difluorocyclohexyl)amino]-3-hydroxyoxolan-2-yl]methyl]cyclopropanecarboxamide is O=C(NC[C@H]1OC[C@@H](NC2CCC(F)(F)CC2)[C@@H]1O)C1CC1.
What is the InChIKey of N-[[(2R,3S,4R)-4-[(4,4-difluorocyclohexyl)amino]-3-hydroxyoxolan-2-yl]methyl]cyclopropanecarboxamide?
The InChIKey is PLDODJQHYFEKDE-UPJWGTAASA-N. The full InChI is InChI=1S/C15H24F2N2O3/c16-15(17)5-3-10(4-6-15)19-11-8-22-12(13(11)20)7-18-14(21)9-1-2-9/h9-13,19-20H,1-8H2,(H,18,21)/t11-,12-,13+/m1/s1.
What are the key properties of N-[[(2R,3S,4R)-4-[(4,4-difluorocyclohexyl)amino]-3-hydroxyoxolan-2-yl]methyl]cyclopropanecarboxamide?
N-[[(2R,3S,4R)-4-[(4,4-difluorocyclohexyl)amino]-3-hydroxyoxolan-2-yl]methyl]cyclopropanecarboxamide has a molecular weight of 318.36 g/mol, XLogP of 0.81, 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]cyclopropanecarboxamide is sourced from PubChem (CID 75536536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).