N-[(2S,3R,6S)-6-[2-[(4-fluorophenyl)carbamoylamino]ethyl]-2-(hydroxymethyl)oxan-3-yl]propanamide

C18H26FN3O4 — CID 53382746

IUPACN-[(2S,3R,6S)-6-[2-[(4-fluorophenyl)carbamoylamino]ethyl]-2-(hydroxymethyl)oxan-3-yl]propanamide
SMILESCCC(=O)N[C@@H]1CC[C@@H](CCNC(=O)Nc2ccc(F)cc2)O[C@@H]1CO
InChIInChI=1S/C18H26FN3O4/c1-2-17(24)22-15-8-7-14(26-16(15)11-23)9-10-20-18(25)21-13-5-3-12(19)4-6-13/h3-6,14-16,23H,2,7-11H2,1H3,(H,22,24)(H2,20,21,25)/t14-,15+,16+/m0/s1
InChIKeyJWIYRZNZWJONLJ-ARFHVFGLSA-N
MW367.42 g/mol
LogP1.77
Rot. Bonds7

About N-[(2S,3R,6S)-6-[2-[(4-fluorophenyl)carbamoylamino]ethyl]-2-(hydroxymethyl)oxan-3-yl]propanamide

N-[(2S,3R,6S)-6-[2-[(4-fluorophenyl)carbamoylamino]ethyl]-2-(hydroxymethyl)oxan-3-yl]propanamide (PubChem CID 53382746) has the molecular formula C18H26FN3O4 and a molecular weight of 367.42 g/mol. Its IUPAC name is N-[(2S,3R,6S)-6-[2-[(4-fluorophenyl)carbamoylamino]ethyl]-2-(hydroxymethyl)oxan-3-yl]propanamide.

Molecular Properties

Compound NameN-[(2S,3R,6S)-6-[2-[(4-fluorophenyl)carbamoylamino]ethyl]-2-(hydroxymethyl)oxan-3-yl]propanamide
PubChem CID53382746
Molecular FormulaC18H26FN3O4
Molecular Weight367.42 g/mol
Exact Mass367.19
IUPAC NameN-[(2S,3R,6S)-6-[2-[(4-fluorophenyl)carbamoylamino]ethyl]-2-(hydroxymethyl)oxan-3-yl]propanamide
SMILESCCC(=O)N[C@@H]1CC[C@@H](CCNC(=O)Nc2ccc(F)cc2)O[C@@H]1CO
InChIInChI=1S/C18H26FN3O4/c1-2-17(24)22-15-8-7-14(26-16(15)11-23)9-10-20-18(25)21-13-5-3-12(19)4-6-13/h3-6,14-16,23H,2,7-11H2,1H3,(H,22,24)(H2,20,21,25)/t14-,15+,16+/m0/s1
InChIKeyJWIYRZNZWJONLJ-ARFHVFGLSA-N
XLogP1.77
TPSA99.69 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.42
LogP ≤ 51.77
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(2S,3R,6S)-6-[2-[(4-fluorophenyl)carbamoylamino]ethyl]-2-(hydroxymethyl)oxan-3-yl]propanamide?
The IUPAC name of N-[(2S,3R,6S)-6-[2-[(4-fluorophenyl)carbamoylamino]ethyl]-2-(hydroxymethyl)oxan-3-yl]propanamide (CID 53382746) is N-[(2S,3R,6S)-6-[2-[(4-fluorophenyl)carbamoylamino]ethyl]-2-(hydroxymethyl)oxan-3-yl]propanamide.
What is the SMILES notation for N-[(2S,3R,6S)-6-[2-[(4-fluorophenyl)carbamoylamino]ethyl]-2-(hydroxymethyl)oxan-3-yl]propanamide?
The canonical SMILES for N-[(2S,3R,6S)-6-[2-[(4-fluorophenyl)carbamoylamino]ethyl]-2-(hydroxymethyl)oxan-3-yl]propanamide is CCC(=O)N[C@@H]1CC[C@@H](CCNC(=O)Nc2ccc(F)cc2)O[C@@H]1CO.
What is the InChIKey of N-[(2S,3R,6S)-6-[2-[(4-fluorophenyl)carbamoylamino]ethyl]-2-(hydroxymethyl)oxan-3-yl]propanamide?
The InChIKey is JWIYRZNZWJONLJ-ARFHVFGLSA-N. The full InChI is InChI=1S/C18H26FN3O4/c1-2-17(24)22-15-8-7-14(26-16(15)11-23)9-10-20-18(25)21-13-5-3-12(19)4-6-13/h3-6,14-16,23H,2,7-11H2,1H3,(H,22,24)(H2,20,21,25)/t14-,15+,16+/m0/s1.
What are the key properties of N-[(2S,3R,6S)-6-[2-[(4-fluorophenyl)carbamoylamino]ethyl]-2-(hydroxymethyl)oxan-3-yl]propanamide?
N-[(2S,3R,6S)-6-[2-[(4-fluorophenyl)carbamoylamino]ethyl]-2-(hydroxymethyl)oxan-3-yl]propanamide has a molecular weight of 367.42 g/mol, XLogP of 1.77, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S,3R,6S)-6-[2-[(4-fluorophenyl)carbamoylamino]ethyl]-2-(hydroxymethyl)oxan-3-yl]propanamide is sourced from PubChem (CID 53382746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).