3-methoxy-N-[(2R,5R)-5-(3-methoxypropanoylamino)hexan-2-yl]propanamide

C14H28N2O4 — CID 166439509

IUPAC3-methoxy-N-[(2R,5R)-5-(3-methoxypropanoylamino)hexan-2-yl]propanamide
SMILESCOCCC(=O)N[C@H](C)CC[C@@H](C)NC(=O)CCOC
InChIInChI=1S/C14H28N2O4/c1-11(15-13(17)7-9-19-3)5-6-12(2)16-14(18)8-10-20-4/h11-12H,5-10H2,1-4H3,(H,15,17)(H,16,18)/t11-,12-/m1/s1
InChIKeyHJHXZACYPVKUEH-VXGBXAGGSA-N
MW288.39 g/mol
LogP0.85
Rot. Bonds11

About 3-methoxy-N-[(2R,5R)-5-(3-methoxypropanoylamino)hexan-2-yl]propanamide

3-methoxy-N-[(2R,5R)-5-(3-methoxypropanoylamino)hexan-2-yl]propanamide (PubChem CID 166439509) has the molecular formula C14H28N2O4 and a molecular weight of 288.39 g/mol. Its IUPAC name is 3-methoxy-N-[(2R,5R)-5-(3-methoxypropanoylamino)hexan-2-yl]propanamide.

Molecular Properties

Compound Name3-methoxy-N-[(2R,5R)-5-(3-methoxypropanoylamino)hexan-2-yl]propanamide
PubChem CID166439509
Molecular FormulaC14H28N2O4
Molecular Weight288.39 g/mol
Exact Mass288.20
IUPAC Name3-methoxy-N-[(2R,5R)-5-(3-methoxypropanoylamino)hexan-2-yl]propanamide
SMILESCOCCC(=O)N[C@H](C)CC[C@@H](C)NC(=O)CCOC
InChIInChI=1S/C14H28N2O4/c1-11(15-13(17)7-9-19-3)5-6-12(2)16-14(18)8-10-20-4/h11-12H,5-10H2,1-4H3,(H,15,17)(H,16,18)/t11-,12-/m1/s1
InChIKeyHJHXZACYPVKUEH-VXGBXAGGSA-N
XLogP0.85
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-[(2R,5R)-5-(3-methoxypropanoylamino)hexan-2-yl]propanamide?
The IUPAC name of 3-methoxy-N-[(2R,5R)-5-(3-methoxypropanoylamino)hexan-2-yl]propanamide (CID 166439509) is 3-methoxy-N-[(2R,5R)-5-(3-methoxypropanoylamino)hexan-2-yl]propanamide.
What is the SMILES notation for 3-methoxy-N-[(2R,5R)-5-(3-methoxypropanoylamino)hexan-2-yl]propanamide?
The canonical SMILES for 3-methoxy-N-[(2R,5R)-5-(3-methoxypropanoylamino)hexan-2-yl]propanamide is COCCC(=O)N[C@H](C)CC[C@@H](C)NC(=O)CCOC.
What is the InChIKey of 3-methoxy-N-[(2R,5R)-5-(3-methoxypropanoylamino)hexan-2-yl]propanamide?
The InChIKey is HJHXZACYPVKUEH-VXGBXAGGSA-N. The full InChI is InChI=1S/C14H28N2O4/c1-11(15-13(17)7-9-19-3)5-6-12(2)16-14(18)8-10-20-4/h11-12H,5-10H2,1-4H3,(H,15,17)(H,16,18)/t11-,12-/m1/s1.
What are the key properties of 3-methoxy-N-[(2R,5R)-5-(3-methoxypropanoylamino)hexan-2-yl]propanamide?
3-methoxy-N-[(2R,5R)-5-(3-methoxypropanoylamino)hexan-2-yl]propanamide has a molecular weight of 288.39 g/mol, XLogP of 0.85, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-[(2R,5R)-5-(3-methoxypropanoylamino)hexan-2-yl]propanamide is sourced from PubChem (CID 166439509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).