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

C17H30F2N2O2 — CID 54490474

IUPACN-[(4S)-4-amino-5-cyclohexyl-2,2-difluoro-3-oxopentyl]-4-methylpentanamide
SMILESCC(C)CCC(=O)NCC(F)(F)C(=O)[C@@H](N)CC1CCCCC1
InChIInChI=1S/C17H30F2N2O2/c1-12(2)8-9-15(22)21-11-17(18,19)16(23)14(20)10-13-6-4-3-5-7-13/h12-14H,3-11,20H2,1-2H3,(H,21,22)/t14-/m0/s1
InChIKeyXVJCTWIOCTUXBY-AWEZNQCLSA-N
MW332.44 g/mol
LogP3.04
Rot. Bonds9

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

N-[(4S)-4-amino-5-cyclohexyl-2,2-difluoro-3-oxopentyl]-4-methylpentanamide (PubChem CID 54490474) has the molecular formula C17H30F2N2O2 and a molecular weight of 332.44 g/mol. Its IUPAC name is N-[(4S)-4-amino-5-cyclohexyl-2,2-difluoro-3-oxopentyl]-4-methylpentanamide.

Molecular Properties

Compound NameN-[(4S)-4-amino-5-cyclohexyl-2,2-difluoro-3-oxopentyl]-4-methylpentanamide
PubChem CID54490474
Molecular FormulaC17H30F2N2O2
Molecular Weight332.44 g/mol
Exact Mass332.23
IUPAC NameN-[(4S)-4-amino-5-cyclohexyl-2,2-difluoro-3-oxopentyl]-4-methylpentanamide
SMILESCC(C)CCC(=O)NCC(F)(F)C(=O)[C@@H](N)CC1CCCCC1
InChIInChI=1S/C17H30F2N2O2/c1-12(2)8-9-15(22)21-11-17(18,19)16(23)14(20)10-13-6-4-3-5-7-13/h12-14H,3-11,20H2,1-2H3,(H,21,22)/t14-/m0/s1
InChIKeyXVJCTWIOCTUXBY-AWEZNQCLSA-N
XLogP3.04
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.44
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(4S)-4-amino-5-cyclohexyl-2,2-difluoro-3-oxopentyl]-4-methylpentanamide?
The IUPAC name of N-[(4S)-4-amino-5-cyclohexyl-2,2-difluoro-3-oxopentyl]-4-methylpentanamide (CID 54490474) is N-[(4S)-4-amino-5-cyclohexyl-2,2-difluoro-3-oxopentyl]-4-methylpentanamide.
What is the SMILES notation for N-[(4S)-4-amino-5-cyclohexyl-2,2-difluoro-3-oxopentyl]-4-methylpentanamide?
The canonical SMILES for N-[(4S)-4-amino-5-cyclohexyl-2,2-difluoro-3-oxopentyl]-4-methylpentanamide is CC(C)CCC(=O)NCC(F)(F)C(=O)[C@@H](N)CC1CCCCC1.
What is the InChIKey of N-[(4S)-4-amino-5-cyclohexyl-2,2-difluoro-3-oxopentyl]-4-methylpentanamide?
The InChIKey is XVJCTWIOCTUXBY-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H30F2N2O2/c1-12(2)8-9-15(22)21-11-17(18,19)16(23)14(20)10-13-6-4-3-5-7-13/h12-14H,3-11,20H2,1-2H3,(H,21,22)/t14-/m0/s1.
What are the key properties of N-[(4S)-4-amino-5-cyclohexyl-2,2-difluoro-3-oxopentyl]-4-methylpentanamide?
N-[(4S)-4-amino-5-cyclohexyl-2,2-difluoro-3-oxopentyl]-4-methylpentanamide has a molecular weight of 332.44 g/mol, XLogP of 3.04, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4S)-4-amino-5-cyclohexyl-2,2-difluoro-3-oxopentyl]-4-methylpentanamide is sourced from PubChem (CID 54490474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).