N-[[(2R,3S,4R,5S)-5-(2-anilino-2-oxoethyl)-3,4-dihydroxyoxolan-2-yl]methyl]benzamide

C20H22N2O5 — CID 40777965

IUPACN-[[(2R,3S,4R,5S)-5-(2-anilino-2-oxoethyl)-3,4-dihydroxyoxolan-2-yl]methyl]benzamide
SMILESO=C(C[C@@H]1O[C@H](CNC(=O)c2ccccc2)[C@@H](O)[C@H]1O)Nc1ccccc1
InChIInChI=1S/C20H22N2O5/c23-17(22-14-9-5-2-6-10-14)11-15-18(24)19(25)16(27-15)12-21-20(26)13-7-3-1-4-8-13/h1-10,15-16,18-19,24-25H,11-12H2,(H,21,26)(H,22,23)/t15-,16+,18-,19+/m0/s1
InChIKeyFPNPDSUCOJRWAT-OGWHTMIXSA-N
MW370.41 g/mol
LogP0.93
Rot. Bonds6

About N-[[(2R,3S,4R,5S)-5-(2-anilino-2-oxoethyl)-3,4-dihydroxyoxolan-2-yl]methyl]benzamide

N-[[(2R,3S,4R,5S)-5-(2-anilino-2-oxoethyl)-3,4-dihydroxyoxolan-2-yl]methyl]benzamide (PubChem CID 40777965) has the molecular formula C20H22N2O5 and a molecular weight of 370.41 g/mol. Its IUPAC name is N-[[(2R,3S,4R,5S)-5-(2-anilino-2-oxoethyl)-3,4-dihydroxyoxolan-2-yl]methyl]benzamide.

Molecular Properties

Compound NameN-[[(2R,3S,4R,5S)-5-(2-anilino-2-oxoethyl)-3,4-dihydroxyoxolan-2-yl]methyl]benzamide
PubChem CID40777965
Molecular FormulaC20H22N2O5
Molecular Weight370.41 g/mol
Exact Mass370.15
IUPAC NameN-[[(2R,3S,4R,5S)-5-(2-anilino-2-oxoethyl)-3,4-dihydroxyoxolan-2-yl]methyl]benzamide
SMILESO=C(C[C@@H]1O[C@H](CNC(=O)c2ccccc2)[C@@H](O)[C@H]1O)Nc1ccccc1
InChIInChI=1S/C20H22N2O5/c23-17(22-14-9-5-2-6-10-14)11-15-18(24)19(25)16(27-15)12-21-20(26)13-7-3-1-4-8-13/h1-10,15-16,18-19,24-25H,11-12H2,(H,21,26)(H,22,23)/t15-,16+,18-,19+/m0/s1
InChIKeyFPNPDSUCOJRWAT-OGWHTMIXSA-N
XLogP0.93
TPSA107.89 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.41
LogP ≤ 50.93
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[(2R,3S,4R,5S)-5-(2-anilino-2-oxoethyl)-3,4-dihydroxyoxolan-2-yl]methyl]benzamide?
The IUPAC name of N-[[(2R,3S,4R,5S)-5-(2-anilino-2-oxoethyl)-3,4-dihydroxyoxolan-2-yl]methyl]benzamide (CID 40777965) is N-[[(2R,3S,4R,5S)-5-(2-anilino-2-oxoethyl)-3,4-dihydroxyoxolan-2-yl]methyl]benzamide.
What is the SMILES notation for N-[[(2R,3S,4R,5S)-5-(2-anilino-2-oxoethyl)-3,4-dihydroxyoxolan-2-yl]methyl]benzamide?
The canonical SMILES for N-[[(2R,3S,4R,5S)-5-(2-anilino-2-oxoethyl)-3,4-dihydroxyoxolan-2-yl]methyl]benzamide is O=C(C[C@@H]1O[C@H](CNC(=O)c2ccccc2)[C@@H](O)[C@H]1O)Nc1ccccc1.
What is the InChIKey of N-[[(2R,3S,4R,5S)-5-(2-anilino-2-oxoethyl)-3,4-dihydroxyoxolan-2-yl]methyl]benzamide?
The InChIKey is FPNPDSUCOJRWAT-OGWHTMIXSA-N. The full InChI is InChI=1S/C20H22N2O5/c23-17(22-14-9-5-2-6-10-14)11-15-18(24)19(25)16(27-15)12-21-20(26)13-7-3-1-4-8-13/h1-10,15-16,18-19,24-25H,11-12H2,(H,21,26)(H,22,23)/t15-,16+,18-,19+/m0/s1.
What are the key properties of N-[[(2R,3S,4R,5S)-5-(2-anilino-2-oxoethyl)-3,4-dihydroxyoxolan-2-yl]methyl]benzamide?
N-[[(2R,3S,4R,5S)-5-(2-anilino-2-oxoethyl)-3,4-dihydroxyoxolan-2-yl]methyl]benzamide has a molecular weight of 370.41 g/mol, XLogP of 0.93, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2R,3S,4R,5S)-5-(2-anilino-2-oxoethyl)-3,4-dihydroxyoxolan-2-yl]methyl]benzamide is sourced from PubChem (CID 40777965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).