N-[(4S,5S)-5-acetamido-6-(3,5-difluorophenyl)-4-hydroxyhexan-2-yl]-2-propoxyacetamide

C19H28F2N2O4 — CID 11349682

IUPACN-[(4S,5S)-5-acetamido-6-(3,5-difluorophenyl)-4-hydroxyhexan-2-yl]-2-propoxyacetamide
SMILESCCCOCC(=O)NC(C)C[C@H](O)[C@H](Cc1cc(F)cc(F)c1)NC(C)=O
InChIInChI=1S/C19H28F2N2O4/c1-4-5-27-11-19(26)22-12(2)6-18(25)17(23-13(3)24)9-14-7-15(20)10-16(21)8-14/h7-8,10,12,17-18,25H,4-6,9,11H2,1-3H3,(H,22,26)(H,23,24)/t12?,17-,18-/m0/s1
InChIKeyLVZZMEMUHMDJQW-MIIWOSQWSA-N
MW386.44 g/mol
LogP1.69
Rot. Bonds11

About N-[(4S,5S)-5-acetamido-6-(3,5-difluorophenyl)-4-hydroxyhexan-2-yl]-2-propoxyacetamide

N-[(4S,5S)-5-acetamido-6-(3,5-difluorophenyl)-4-hydroxyhexan-2-yl]-2-propoxyacetamide (PubChem CID 11349682) has the molecular formula C19H28F2N2O4 and a molecular weight of 386.44 g/mol. Its IUPAC name is N-[(4S,5S)-5-acetamido-6-(3,5-difluorophenyl)-4-hydroxyhexan-2-yl]-2-propoxyacetamide.

Molecular Properties

Compound NameN-[(4S,5S)-5-acetamido-6-(3,5-difluorophenyl)-4-hydroxyhexan-2-yl]-2-propoxyacetamide
PubChem CID11349682
Molecular FormulaC19H28F2N2O4
Molecular Weight386.44 g/mol
Exact Mass386.20
IUPAC NameN-[(4S,5S)-5-acetamido-6-(3,5-difluorophenyl)-4-hydroxyhexan-2-yl]-2-propoxyacetamide
SMILESCCCOCC(=O)NC(C)C[C@H](O)[C@H](Cc1cc(F)cc(F)c1)NC(C)=O
InChIInChI=1S/C19H28F2N2O4/c1-4-5-27-11-19(26)22-12(2)6-18(25)17(23-13(3)24)9-14-7-15(20)10-16(21)8-14/h7-8,10,12,17-18,25H,4-6,9,11H2,1-3H3,(H,22,26)(H,23,24)/t12?,17-,18-/m0/s1
InChIKeyLVZZMEMUHMDJQW-MIIWOSQWSA-N
XLogP1.69
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.44
LogP ≤ 51.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(4S,5S)-5-acetamido-6-(3,5-difluorophenyl)-4-hydroxyhexan-2-yl]-2-propoxyacetamide?
The IUPAC name of N-[(4S,5S)-5-acetamido-6-(3,5-difluorophenyl)-4-hydroxyhexan-2-yl]-2-propoxyacetamide (CID 11349682) is N-[(4S,5S)-5-acetamido-6-(3,5-difluorophenyl)-4-hydroxyhexan-2-yl]-2-propoxyacetamide.
What is the SMILES notation for N-[(4S,5S)-5-acetamido-6-(3,5-difluorophenyl)-4-hydroxyhexan-2-yl]-2-propoxyacetamide?
The canonical SMILES for N-[(4S,5S)-5-acetamido-6-(3,5-difluorophenyl)-4-hydroxyhexan-2-yl]-2-propoxyacetamide is CCCOCC(=O)NC(C)C[C@H](O)[C@H](Cc1cc(F)cc(F)c1)NC(C)=O.
What is the InChIKey of N-[(4S,5S)-5-acetamido-6-(3,5-difluorophenyl)-4-hydroxyhexan-2-yl]-2-propoxyacetamide?
The InChIKey is LVZZMEMUHMDJQW-MIIWOSQWSA-N. The full InChI is InChI=1S/C19H28F2N2O4/c1-4-5-27-11-19(26)22-12(2)6-18(25)17(23-13(3)24)9-14-7-15(20)10-16(21)8-14/h7-8,10,12,17-18,25H,4-6,9,11H2,1-3H3,(H,22,26)(H,23,24)/t12?,17-,18-/m0/s1.
What are the key properties of N-[(4S,5S)-5-acetamido-6-(3,5-difluorophenyl)-4-hydroxyhexan-2-yl]-2-propoxyacetamide?
N-[(4S,5S)-5-acetamido-6-(3,5-difluorophenyl)-4-hydroxyhexan-2-yl]-2-propoxyacetamide has a molecular weight of 386.44 g/mol, XLogP of 1.69, 11 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4S,5S)-5-acetamido-6-(3,5-difluorophenyl)-4-hydroxyhexan-2-yl]-2-propoxyacetamide is sourced from PubChem (CID 11349682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).