N-[2-[(2S,5S,6R)-6-(hydroxymethyl)-5-(propan-2-ylcarbamoylamino)oxan-2-yl]ethyl]oxane-4-carboxamide

C18H33N3O5 — CID 54641040

IUPACN-[2-[(2S,5S,6R)-6-(hydroxymethyl)-5-(propan-2-ylcarbamoylamino)oxan-2-yl]ethyl]oxane-4-carboxamide
SMILESCC(C)NC(=O)N[C@H]1CC[C@@H](CCNC(=O)C2CCOCC2)O[C@H]1CO
InChIInChI=1S/C18H33N3O5/c1-12(2)20-18(24)21-15-4-3-14(26-16(15)11-22)5-8-19-17(23)13-6-9-25-10-7-13/h12-16,22H,3-11H2,1-2H3,(H,19,23)(H2,20,21,24)/t14-,15-,16-/m0/s1
InChIKeyDMROSRCUXVWXJU-JYJNAYRXSA-N
MW371.48 g/mol
LogP0.54
Rot. Bonds7

About N-[2-[(2S,5S,6R)-6-(hydroxymethyl)-5-(propan-2-ylcarbamoylamino)oxan-2-yl]ethyl]oxane-4-carboxamide

N-[2-[(2S,5S,6R)-6-(hydroxymethyl)-5-(propan-2-ylcarbamoylamino)oxan-2-yl]ethyl]oxane-4-carboxamide (PubChem CID 54641040) has the molecular formula C18H33N3O5 and a molecular weight of 371.48 g/mol. Its IUPAC name is N-[2-[(2S,5S,6R)-6-(hydroxymethyl)-5-(propan-2-ylcarbamoylamino)oxan-2-yl]ethyl]oxane-4-carboxamide.

Molecular Properties

Compound NameN-[2-[(2S,5S,6R)-6-(hydroxymethyl)-5-(propan-2-ylcarbamoylamino)oxan-2-yl]ethyl]oxane-4-carboxamide
PubChem CID54641040
Molecular FormulaC18H33N3O5
Molecular Weight371.48 g/mol
Exact Mass371.24
IUPAC NameN-[2-[(2S,5S,6R)-6-(hydroxymethyl)-5-(propan-2-ylcarbamoylamino)oxan-2-yl]ethyl]oxane-4-carboxamide
SMILESCC(C)NC(=O)N[C@H]1CC[C@@H](CCNC(=O)C2CCOCC2)O[C@H]1CO
InChIInChI=1S/C18H33N3O5/c1-12(2)20-18(24)21-15-4-3-14(26-16(15)11-22)5-8-19-17(23)13-6-9-25-10-7-13/h12-16,22H,3-11H2,1-2H3,(H,19,23)(H2,20,21,24)/t14-,15-,16-/m0/s1
InChIKeyDMROSRCUXVWXJU-JYJNAYRXSA-N
XLogP0.54
TPSA108.92 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.48
LogP ≤ 50.54
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Analyze N-[2-[(2S,5S,6R)-6-(hydroxymethyl)-5-(propan-2-ylcarbamoylamino)oxan-2-yl]ethyl]oxane-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-[(2S,5R,6S)-6-(hydroxymethyl)-5-(propan-2-ylcarbamoylamino)oxan-2-yl]ethyl]cyclopropanecarboxamide
CID 54644908
N-[2-[(2R,5S,6R)-6-(hydroxymethyl)-5-(propan-2-ylcarbamoylamino)oxan-2-yl]ethyl]cyclobutanecarboxamide
CID 54645512
N-[2-[(2R,5S,6R)-5-[(3,5-dimethyl-1,2-oxazol-4-yl)carbamoylamino]-6-(hydroxymethyl)oxan-2-yl]ethyl]oxane-4-carboxamide
CID 54639596
N-[2-[(2S,5S,6R)-5-acetamido-6-(hydroxymethyl)oxan-2-yl]ethyl]cyclobutanecarboxamide
CID 54645451
1-[(2R,3R,6S)-6-(2-aminoethyl)-2-(hydroxymethyl)oxan-3-yl]-3-propan-2-ylurea
CID 54638929
N-[2-[(2S,5R,6R)-5-acetamido-6-(hydroxymethyl)oxan-2-yl]ethyl]cyclopropanecarboxamide
CID 54639273
1-[(2R,3S,6S)-6-(2-aminoethyl)-2-(hydroxymethyl)oxan-3-yl]-3-propan-2-ylurea
CID 54638928
N-[2-[(2R,5S,6S)-5-acetamido-6-(hydroxymethyl)oxan-2-yl]ethyl]cyclopropanecarboxamide
CID 54639270
N-[2-[(2S,5R,6R)-5-[(2-fluorophenyl)carbamoylamino]-6-(hydroxymethyl)oxan-2-yl]ethyl]oxane-4-carboxamide
CID 54643772
N-[2-[(2S,5R,6S)-5-[(3-chlorophenyl)carbamoylamino]-6-(hydroxymethyl)oxan-2-yl]ethyl]oxane-4-carboxamide
CID 54640238
N-[2-[(2S,5S,6R)-5-(1,3-benzodioxol-5-ylcarbamoylamino)-6-(hydroxymethyl)oxan-2-yl]ethyl]oxane-4-carboxamide
CID 54644635
N-[2-[(2R,5R,6R)-6-(hydroxymethyl)-5-[(2-morpholin-4-ylacetyl)amino]oxan-2-yl]ethyl]cyclopentanecarboxamide
CID 54645618

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2S,5S,6R)-6-(hydroxymethyl)-5-(propan-2-ylcarbamoylamino)oxan-2-yl]ethyl]oxane-4-carboxamide?
The IUPAC name of N-[2-[(2S,5S,6R)-6-(hydroxymethyl)-5-(propan-2-ylcarbamoylamino)oxan-2-yl]ethyl]oxane-4-carboxamide (CID 54641040) is N-[2-[(2S,5S,6R)-6-(hydroxymethyl)-5-(propan-2-ylcarbamoylamino)oxan-2-yl]ethyl]oxane-4-carboxamide.
What is the SMILES notation for N-[2-[(2S,5S,6R)-6-(hydroxymethyl)-5-(propan-2-ylcarbamoylamino)oxan-2-yl]ethyl]oxane-4-carboxamide?
The canonical SMILES for N-[2-[(2S,5S,6R)-6-(hydroxymethyl)-5-(propan-2-ylcarbamoylamino)oxan-2-yl]ethyl]oxane-4-carboxamide is CC(C)NC(=O)N[C@H]1CC[C@@H](CCNC(=O)C2CCOCC2)O[C@H]1CO.
What is the InChIKey of N-[2-[(2S,5S,6R)-6-(hydroxymethyl)-5-(propan-2-ylcarbamoylamino)oxan-2-yl]ethyl]oxane-4-carboxamide?
The InChIKey is DMROSRCUXVWXJU-JYJNAYRXSA-N. The full InChI is InChI=1S/C18H33N3O5/c1-12(2)20-18(24)21-15-4-3-14(26-16(15)11-22)5-8-19-17(23)13-6-9-25-10-7-13/h12-16,22H,3-11H2,1-2H3,(H,19,23)(H2,20,21,24)/t14-,15-,16-/m0/s1.
What are the key properties of N-[2-[(2S,5S,6R)-6-(hydroxymethyl)-5-(propan-2-ylcarbamoylamino)oxan-2-yl]ethyl]oxane-4-carboxamide?
N-[2-[(2S,5S,6R)-6-(hydroxymethyl)-5-(propan-2-ylcarbamoylamino)oxan-2-yl]ethyl]oxane-4-carboxamide has a molecular weight of 371.48 g/mol, XLogP of 0.54, 7 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2S,5S,6R)-6-(hydroxymethyl)-5-(propan-2-ylcarbamoylamino)oxan-2-yl]ethyl]oxane-4-carboxamide is sourced from PubChem (CID 54641040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).