N-[(3R,4S)-4-amino-5-cyclohexyl-2,2-difluoro-3-hydroxypentyl]-4-methylpentanamide

C17H32F2N2O2 — CID 57028439

IUPACN-[(3R,4S)-4-amino-5-cyclohexyl-2,2-difluoro-3-hydroxypentyl]-4-methylpentanamide
SMILESCC(C)CCC(=O)NCC(F)(F)[C@H](O)[C@@H](N)CC1CCCCC1
InChIInChI=1S/C17H32F2N2O2/c1-12(2)8-9-15(22)21-11-17(18,19)16(23)14(20)10-13-6-4-3-5-7-13/h12-14,16,23H,3-11,20H2,1-2H3,(H,21,22)/t14-,16+/m0/s1
InChIKeyJCLITESAOJXQHP-GOEBONIOSA-N
MW334.45 g/mol
LogP2.83
Rot. Bonds9

About N-[(3R,4S)-4-amino-5-cyclohexyl-2,2-difluoro-3-hydroxypentyl]-4-methylpentanamide

N-[(3R,4S)-4-amino-5-cyclohexyl-2,2-difluoro-3-hydroxypentyl]-4-methylpentanamide (PubChem CID 57028439) has the molecular formula C17H32F2N2O2 and a molecular weight of 334.45 g/mol. Its IUPAC name is N-[(3R,4S)-4-amino-5-cyclohexyl-2,2-difluoro-3-hydroxypentyl]-4-methylpentanamide.

Molecular Properties

Compound NameN-[(3R,4S)-4-amino-5-cyclohexyl-2,2-difluoro-3-hydroxypentyl]-4-methylpentanamide
PubChem CID57028439
Molecular FormulaC17H32F2N2O2
Molecular Weight334.45 g/mol
Exact Mass334.24
IUPAC NameN-[(3R,4S)-4-amino-5-cyclohexyl-2,2-difluoro-3-hydroxypentyl]-4-methylpentanamide
SMILESCC(C)CCC(=O)NCC(F)(F)[C@H](O)[C@@H](N)CC1CCCCC1
InChIInChI=1S/C17H32F2N2O2/c1-12(2)8-9-15(22)21-11-17(18,19)16(23)14(20)10-13-6-4-3-5-7-13/h12-14,16,23H,3-11,20H2,1-2H3,(H,21,22)/t14-,16+/m0/s1
InChIKeyJCLITESAOJXQHP-GOEBONIOSA-N
XLogP2.83
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.45
LogP ≤ 52.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(3R,4S)-4-amino-5-cyclohexyl-2,2-difluoro-3-hydroxypentyl]-4-methylpentanamide?
The IUPAC name of N-[(3R,4S)-4-amino-5-cyclohexyl-2,2-difluoro-3-hydroxypentyl]-4-methylpentanamide (CID 57028439) is N-[(3R,4S)-4-amino-5-cyclohexyl-2,2-difluoro-3-hydroxypentyl]-4-methylpentanamide.
What is the SMILES notation for N-[(3R,4S)-4-amino-5-cyclohexyl-2,2-difluoro-3-hydroxypentyl]-4-methylpentanamide?
The canonical SMILES for N-[(3R,4S)-4-amino-5-cyclohexyl-2,2-difluoro-3-hydroxypentyl]-4-methylpentanamide is CC(C)CCC(=O)NCC(F)(F)[C@H](O)[C@@H](N)CC1CCCCC1.
What is the InChIKey of N-[(3R,4S)-4-amino-5-cyclohexyl-2,2-difluoro-3-hydroxypentyl]-4-methylpentanamide?
The InChIKey is JCLITESAOJXQHP-GOEBONIOSA-N. The full InChI is InChI=1S/C17H32F2N2O2/c1-12(2)8-9-15(22)21-11-17(18,19)16(23)14(20)10-13-6-4-3-5-7-13/h12-14,16,23H,3-11,20H2,1-2H3,(H,21,22)/t14-,16+/m0/s1.
What are the key properties of N-[(3R,4S)-4-amino-5-cyclohexyl-2,2-difluoro-3-hydroxypentyl]-4-methylpentanamide?
N-[(3R,4S)-4-amino-5-cyclohexyl-2,2-difluoro-3-hydroxypentyl]-4-methylpentanamide has a molecular weight of 334.45 g/mol, XLogP of 2.83, 9 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R,4S)-4-amino-5-cyclohexyl-2,2-difluoro-3-hydroxypentyl]-4-methylpentanamide is sourced from PubChem (CID 57028439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).