2-[(2S,4S,5R)-3,4-dihydroxy-5-[(propan-2-ylcarbamoylamino)methyl]oxolan-2-yl]-N-[(4-fluorophenyl)methyl]acetamide

C18H26FN3O5 — CID 44716537

IUPAC2-[(2S,4S,5R)-3,4-dihydroxy-5-[(propan-2-ylcarbamoylamino)methyl]oxolan-2-yl]-N-[(4-fluorophenyl)methyl]acetamide
SMILESCC(C)NC(=O)NC[C@H]1O[C@@H](CC(=O)NCc2ccc(F)cc2)C(O)[C@@H]1O
InChIInChI=1S/C18H26FN3O5/c1-10(2)22-18(26)21-9-14-17(25)16(24)13(27-14)7-15(23)20-8-11-3-5-12(19)6-4-11/h3-6,10,13-14,16-17,24-25H,7-9H2,1-2H3,(H,20,23)(H2,21,22,26)/t13-,14+,16?,17+/m0/s1
InChIKeyYSMQYFAZRNAJBR-VMTUKWTFSA-N
MW383.42 g/mol
LogP0.03
Rot. Bonds7

About 2-[(2S,4S,5R)-3,4-dihydroxy-5-[(propan-2-ylcarbamoylamino)methyl]oxolan-2-yl]-N-[(4-fluorophenyl)methyl]acetamide

2-[(2S,4S,5R)-3,4-dihydroxy-5-[(propan-2-ylcarbamoylamino)methyl]oxolan-2-yl]-N-[(4-fluorophenyl)methyl]acetamide (PubChem CID 44716537) has the molecular formula C18H26FN3O5 and a molecular weight of 383.42 g/mol. Its IUPAC name is 2-[(2S,4S,5R)-3,4-dihydroxy-5-[(propan-2-ylcarbamoylamino)methyl]oxolan-2-yl]-N-[(4-fluorophenyl)methyl]acetamide.

Molecular Properties

Compound Name2-[(2S,4S,5R)-3,4-dihydroxy-5-[(propan-2-ylcarbamoylamino)methyl]oxolan-2-yl]-N-[(4-fluorophenyl)methyl]acetamide
PubChem CID44716537
Molecular FormulaC18H26FN3O5
Molecular Weight383.42 g/mol
Exact Mass383.19
IUPAC Name2-[(2S,4S,5R)-3,4-dihydroxy-5-[(propan-2-ylcarbamoylamino)methyl]oxolan-2-yl]-N-[(4-fluorophenyl)methyl]acetamide
SMILESCC(C)NC(=O)NC[C@H]1O[C@@H](CC(=O)NCc2ccc(F)cc2)C(O)[C@@H]1O
InChIInChI=1S/C18H26FN3O5/c1-10(2)22-18(26)21-9-14-17(25)16(24)13(27-14)7-15(23)20-8-11-3-5-12(19)6-4-11/h3-6,10,13-14,16-17,24-25H,7-9H2,1-2H3,(H,20,23)(H2,21,22,26)/t13-,14+,16?,17+/m0/s1
InChIKeyYSMQYFAZRNAJBR-VMTUKWTFSA-N
XLogP0.03
TPSA119.92 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.42
LogP ≤ 50.03
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(2S,3S,4S,5R)-3,4-dihydroxy-5-[[(2-methoxyacetyl)amino]methyl]oxolan-2-yl]-N-[(4-fluorophenyl)methyl]acetamide
CID 25390109
2-[3,4-dihydroxy-5-[(propan-2-ylcarbamoylamino)methyl]oxolan-2-yl]-N-(pyridin-3-ylmethyl)acetamide
CID 74735286
methyl 4-[[(2S,3S,4R,5S)-5-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-3,4-dihydroxyoxolan-2-yl]methylamino]-4-oxobutanoate
CID 163132528
2-[(2S,3R,4S,5R)-5-[[(4-fluorophenyl)methylamino]methyl]-3,4-dihydroxyoxolan-2-yl]-N-[(4-methoxyphenyl)methyl]acetamide
CID 40781621
N-[[(2S,3S,4R,5S)-5-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-3,4-dihydroxyoxolan-2-yl]methyl]-4-methoxybenzamide
CID 162857829
2-[(2S,3R,4S,5R)-5-[[(2,4-difluorophenyl)carbamoylamino]methyl]-3,4-dihydroxyoxolan-2-yl]-N-propan-2-ylacetamide
CID 40781493
2-[(2S,3R,4S,5R)-3,4-dihydroxy-5-[(pyridin-2-ylmethylamino)methyl]oxolan-2-yl]-N-[(4-fluorophenyl)methyl]acetamide
CID 26744662
2-[3,4-dihydroxy-5-[(propan-2-ylcarbamoylamino)methyl]oxolan-2-yl]-N-(2-methoxyethyl)acetamide
CID 74735156
N-[[(2R,3S,4R,5R)-3,4-dihydroxy-5-[2-oxo-2-(propan-2-ylamino)ethyl]oxolan-2-yl]methyl]-3-fluorobenzamide
CID 162875462
2-[(2S,3R,4S,5S)-3,4-dihydroxy-5-[[(4-methylphenyl)carbamoylamino]methyl]oxolan-2-yl]-N-propan-2-ylacetamide
CID 162946478
2-[3,4-dihydroxy-5-[(phenylcarbamoylamino)methyl]oxolan-2-yl]-N-[(4-methoxyphenyl)methyl]acetamide
CID 74451304
2-[5-[(benzylcarbamoylamino)methyl]-6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-2-yl]-N-[(4-fluorophenyl)methyl]acetamide
CID 162802173

Frequently Asked Questions

What is the IUPAC name of 2-[(2S,4S,5R)-3,4-dihydroxy-5-[(propan-2-ylcarbamoylamino)methyl]oxolan-2-yl]-N-[(4-fluorophenyl)methyl]acetamide?
The IUPAC name of 2-[(2S,4S,5R)-3,4-dihydroxy-5-[(propan-2-ylcarbamoylamino)methyl]oxolan-2-yl]-N-[(4-fluorophenyl)methyl]acetamide (CID 44716537) is 2-[(2S,4S,5R)-3,4-dihydroxy-5-[(propan-2-ylcarbamoylamino)methyl]oxolan-2-yl]-N-[(4-fluorophenyl)methyl]acetamide.
What is the SMILES notation for 2-[(2S,4S,5R)-3,4-dihydroxy-5-[(propan-2-ylcarbamoylamino)methyl]oxolan-2-yl]-N-[(4-fluorophenyl)methyl]acetamide?
The canonical SMILES for 2-[(2S,4S,5R)-3,4-dihydroxy-5-[(propan-2-ylcarbamoylamino)methyl]oxolan-2-yl]-N-[(4-fluorophenyl)methyl]acetamide is CC(C)NC(=O)NC[C@H]1O[C@@H](CC(=O)NCc2ccc(F)cc2)C(O)[C@@H]1O.
What is the InChIKey of 2-[(2S,4S,5R)-3,4-dihydroxy-5-[(propan-2-ylcarbamoylamino)methyl]oxolan-2-yl]-N-[(4-fluorophenyl)methyl]acetamide?
The InChIKey is YSMQYFAZRNAJBR-VMTUKWTFSA-N. The full InChI is InChI=1S/C18H26FN3O5/c1-10(2)22-18(26)21-9-14-17(25)16(24)13(27-14)7-15(23)20-8-11-3-5-12(19)6-4-11/h3-6,10,13-14,16-17,24-25H,7-9H2,1-2H3,(H,20,23)(H2,21,22,26)/t13-,14+,16?,17+/m0/s1.
What are the key properties of 2-[(2S,4S,5R)-3,4-dihydroxy-5-[(propan-2-ylcarbamoylamino)methyl]oxolan-2-yl]-N-[(4-fluorophenyl)methyl]acetamide?
2-[(2S,4S,5R)-3,4-dihydroxy-5-[(propan-2-ylcarbamoylamino)methyl]oxolan-2-yl]-N-[(4-fluorophenyl)methyl]acetamide has a molecular weight of 383.42 g/mol, XLogP of 0.03, 7 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S,4S,5R)-3,4-dihydroxy-5-[(propan-2-ylcarbamoylamino)methyl]oxolan-2-yl]-N-[(4-fluorophenyl)methyl]acetamide is sourced from PubChem (CID 44716537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).