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

C20H24N2O4 — CID 118652227

IUPACN-[[(3S,4R,5R)-5-[(benzylamino)methyl]-3,4-dihydroxyoxolan-3-yl]methyl]benzamide
SMILESO=C(NC[C@]1(O)CO[C@H](CNCc2ccccc2)[C@H]1O)c1ccccc1
InChIInChI=1S/C20H24N2O4/c23-18-17(12-21-11-15-7-3-1-4-8-15)26-14-20(18,25)13-22-19(24)16-9-5-2-6-10-16/h1-10,17-18,21,23,25H,11-14H2,(H,22,24)/t17-,18-,20+/m1/s1
InChIKeyATZAKQCZNRWTMJ-GGPKGHCWSA-N
MW356.42 g/mol
LogP0.70
Rot. Bonds7

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

N-[[(3S,4R,5R)-5-[(benzylamino)methyl]-3,4-dihydroxyoxolan-3-yl]methyl]benzamide (PubChem CID 118652227) has the molecular formula C20H24N2O4 and a molecular weight of 356.42 g/mol. Its IUPAC name is N-[[(3S,4R,5R)-5-[(benzylamino)methyl]-3,4-dihydroxyoxolan-3-yl]methyl]benzamide.

Molecular Properties

Compound NameN-[[(3S,4R,5R)-5-[(benzylamino)methyl]-3,4-dihydroxyoxolan-3-yl]methyl]benzamide
PubChem CID118652227
Molecular FormulaC20H24N2O4
Molecular Weight356.42 g/mol
Exact Mass356.17
IUPAC NameN-[[(3S,4R,5R)-5-[(benzylamino)methyl]-3,4-dihydroxyoxolan-3-yl]methyl]benzamide
SMILESO=C(NC[C@]1(O)CO[C@H](CNCc2ccccc2)[C@H]1O)c1ccccc1
InChIInChI=1S/C20H24N2O4/c23-18-17(12-21-11-15-7-3-1-4-8-15)26-14-20(18,25)13-22-19(24)16-9-5-2-6-10-16/h1-10,17-18,21,23,25H,11-14H2,(H,22,24)/t17-,18-,20+/m1/s1
InChIKeyATZAKQCZNRWTMJ-GGPKGHCWSA-N
XLogP0.70
TPSA90.82 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.42
LogP ≤ 50.70
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[(3S,4R,5R)-5-[(benzylamino)methyl]-3,4-dihydroxyoxolan-3-yl]methyl]benzamide?
The IUPAC name of N-[[(3S,4R,5R)-5-[(benzylamino)methyl]-3,4-dihydroxyoxolan-3-yl]methyl]benzamide (CID 118652227) is N-[[(3S,4R,5R)-5-[(benzylamino)methyl]-3,4-dihydroxyoxolan-3-yl]methyl]benzamide.
What is the SMILES notation for N-[[(3S,4R,5R)-5-[(benzylamino)methyl]-3,4-dihydroxyoxolan-3-yl]methyl]benzamide?
The canonical SMILES for N-[[(3S,4R,5R)-5-[(benzylamino)methyl]-3,4-dihydroxyoxolan-3-yl]methyl]benzamide is O=C(NC[C@]1(O)CO[C@H](CNCc2ccccc2)[C@H]1O)c1ccccc1.
What is the InChIKey of N-[[(3S,4R,5R)-5-[(benzylamino)methyl]-3,4-dihydroxyoxolan-3-yl]methyl]benzamide?
The InChIKey is ATZAKQCZNRWTMJ-GGPKGHCWSA-N. The full InChI is InChI=1S/C20H24N2O4/c23-18-17(12-21-11-15-7-3-1-4-8-15)26-14-20(18,25)13-22-19(24)16-9-5-2-6-10-16/h1-10,17-18,21,23,25H,11-14H2,(H,22,24)/t17-,18-,20+/m1/s1.
What are the key properties of N-[[(3S,4R,5R)-5-[(benzylamino)methyl]-3,4-dihydroxyoxolan-3-yl]methyl]benzamide?
N-[[(3S,4R,5R)-5-[(benzylamino)methyl]-3,4-dihydroxyoxolan-3-yl]methyl]benzamide has a molecular weight of 356.42 g/mol, XLogP of 0.70, 7 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(3S,4R,5R)-5-[(benzylamino)methyl]-3,4-dihydroxyoxolan-3-yl]methyl]benzamide is sourced from PubChem (CID 118652227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).