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

C18H26F2N2O4 — CID 11372182

IUPACN-[(4S,5S)-5-acetamido-6-(3,5-difluorophenyl)-4-hydroxyhexan-2-yl]-2-ethoxyacetamide
SMILESCCOCC(=O)NC(C)C[C@H](O)[C@H](Cc1cc(F)cc(F)c1)NC(C)=O
InChIInChI=1S/C18H26F2N2O4/c1-4-26-10-18(25)21-11(2)5-17(24)16(22-12(3)23)8-13-6-14(19)9-15(20)7-13/h6-7,9,11,16-17,24H,4-5,8,10H2,1-3H3,(H,21,25)(H,22,23)/t11?,16-,17-/m0/s1
InChIKeyNOKGQWQJHPAXDW-VCXXOSRUSA-N
MW372.41 g/mol
LogP1.30
Rot. Bonds10

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

N-[(4S,5S)-5-acetamido-6-(3,5-difluorophenyl)-4-hydroxyhexan-2-yl]-2-ethoxyacetamide (PubChem CID 11372182) has the molecular formula C18H26F2N2O4 and a molecular weight of 372.41 g/mol. Its IUPAC name is N-[(4S,5S)-5-acetamido-6-(3,5-difluorophenyl)-4-hydroxyhexan-2-yl]-2-ethoxyacetamide.

Molecular Properties

Compound NameN-[(4S,5S)-5-acetamido-6-(3,5-difluorophenyl)-4-hydroxyhexan-2-yl]-2-ethoxyacetamide
PubChem CID11372182
Molecular FormulaC18H26F2N2O4
Molecular Weight372.41 g/mol
Exact Mass372.19
IUPAC NameN-[(4S,5S)-5-acetamido-6-(3,5-difluorophenyl)-4-hydroxyhexan-2-yl]-2-ethoxyacetamide
SMILESCCOCC(=O)NC(C)C[C@H](O)[C@H](Cc1cc(F)cc(F)c1)NC(C)=O
InChIInChI=1S/C18H26F2N2O4/c1-4-26-10-18(25)21-11(2)5-17(24)16(22-12(3)23)8-13-6-14(19)9-15(20)7-13/h6-7,9,11,16-17,24H,4-5,8,10H2,1-3H3,(H,21,25)(H,22,23)/t11?,16-,17-/m0/s1
InChIKeyNOKGQWQJHPAXDW-VCXXOSRUSA-N
XLogP1.30
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.41
LogP ≤ 51.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze N-[(4S,5S)-5-acetamido-6-(3,5-difluorophenyl)-4-hydroxyhexan-2-yl]-2-ethoxyacetamide with MolForge

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Related Compounds

Acetamide,N-[(1S,2S)-1-[(3,5-difluorophenyl)methyl]-2-[(3R,5S,6R)-6-(2,2-dimethylpropoxy)-5-methyl-3-morpholinyl]-2-hydroxyethyl]hydrochloride salt
CID 11669598
N-(4-hydroxycyclohexyl)-2-(3-phenylpropoxy)acetamide
CID 154666019
N-[(1R,2S)-1-[(2R,5R)-5-(cyclohexylmethoxy)piperidin-2-yl]-3-(3,5-difluorophenyl)-1-hydroxypropan-2-yl]acetamide;hydrochloride
CID 137637305
N-[(1R,2S)-1-[(2R,4R)-4-(cyclohexylmethoxy)pyrrolidin-2-yl]-3-(3,5-difluorophenyl)-1-hydroxypropan-2-yl]acetamide;hydrochloride
CID 137655356
Acetamide,N-[(1S,2S)-1-[(3,5-difluorophenyl)methyl]-2-[(3R,5S,6R)-6-(2,2-dimethylpropoxy)-5-methyl-3-morpholinyl]-2-hydroxyethyl]-
CID 11669599
N-[(2S,3S)-4,4,4-trifluoro-3-hydroxy-1-phenylbutan-2-yl]acetamide
CID 23586202
N-(4-acetamido-3-hydroxy-1,5-diphenylpentan-2-yl)acetamide
CID 14704382
N-[(1R,2S)-1-[(2R,4R)-4-(cyclohexylmethoxy)pyrrolidin-2-yl]-3-(3,5-difluorophenyl)-1-hydroxypropan-2-yl]acetamide
CID 131800992
2,4-Diacetylamino-1,5-diphenyl-3-pentanol
CID 452446
Vitroprocine I
CID 156581200
Vitroprocine J
CID 156581201
N-(4,4,4-trifluoro-3-hydroxy-1-phenylbutan-2-yl)acetamide
CID 74066505

Frequently Asked Questions

What is the IUPAC name of N-[(4S,5S)-5-acetamido-6-(3,5-difluorophenyl)-4-hydroxyhexan-2-yl]-2-ethoxyacetamide?
The IUPAC name of N-[(4S,5S)-5-acetamido-6-(3,5-difluorophenyl)-4-hydroxyhexan-2-yl]-2-ethoxyacetamide (CID 11372182) is N-[(4S,5S)-5-acetamido-6-(3,5-difluorophenyl)-4-hydroxyhexan-2-yl]-2-ethoxyacetamide.
What is the SMILES notation for N-[(4S,5S)-5-acetamido-6-(3,5-difluorophenyl)-4-hydroxyhexan-2-yl]-2-ethoxyacetamide?
The canonical SMILES for N-[(4S,5S)-5-acetamido-6-(3,5-difluorophenyl)-4-hydroxyhexan-2-yl]-2-ethoxyacetamide is CCOCC(=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-ethoxyacetamide?
The InChIKey is NOKGQWQJHPAXDW-VCXXOSRUSA-N. The full InChI is InChI=1S/C18H26F2N2O4/c1-4-26-10-18(25)21-11(2)5-17(24)16(22-12(3)23)8-13-6-14(19)9-15(20)7-13/h6-7,9,11,16-17,24H,4-5,8,10H2,1-3H3,(H,21,25)(H,22,23)/t11?,16-,17-/m0/s1.
What are the key properties of N-[(4S,5S)-5-acetamido-6-(3,5-difluorophenyl)-4-hydroxyhexan-2-yl]-2-ethoxyacetamide?
N-[(4S,5S)-5-acetamido-6-(3,5-difluorophenyl)-4-hydroxyhexan-2-yl]-2-ethoxyacetamide has a molecular weight of 372.41 g/mol, XLogP of 1.30, 10 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-ethoxyacetamide is sourced from PubChem (CID 11372182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).