N-(2,3-dihydroxypropyl)-4,5-dihydroxy-N-(1-hydroxy-3-methoxypropyl)pentanamide

C12H25NO7 — CID 139697255

IUPACN-(2,3-dihydroxypropyl)-4,5-dihydroxy-N-(1-hydroxy-3-methoxypropyl)pentanamide
SMILESCOCCC(O)N(CC(O)CO)C(=O)CCC(O)CO
InChIInChI=1S/C12H25NO7/c1-20-5-4-12(19)13(6-10(17)8-15)11(18)3-2-9(16)7-14/h9-10,12,14-17,19H,2-8H2,1H3
InChIKeyLWDDVZIPDCNHEI-UHFFFAOYSA-N
MW295.33 g/mol
LogP-2.34
Rot. Bonds11

About N-(2,3-dihydroxypropyl)-4,5-dihydroxy-N-(1-hydroxy-3-methoxypropyl)pentanamide

N-(2,3-dihydroxypropyl)-4,5-dihydroxy-N-(1-hydroxy-3-methoxypropyl)pentanamide (PubChem CID 139697255) has the molecular formula C12H25NO7 and a molecular weight of 295.33 g/mol. Its IUPAC name is N-(2,3-dihydroxypropyl)-4,5-dihydroxy-N-(1-hydroxy-3-methoxypropyl)pentanamide.

Molecular Properties

Compound NameN-(2,3-dihydroxypropyl)-4,5-dihydroxy-N-(1-hydroxy-3-methoxypropyl)pentanamide
PubChem CID139697255
Molecular FormulaC12H25NO7
Molecular Weight295.33 g/mol
Exact Mass295.16
IUPAC NameN-(2,3-dihydroxypropyl)-4,5-dihydroxy-N-(1-hydroxy-3-methoxypropyl)pentanamide
SMILESCOCCC(O)N(CC(O)CO)C(=O)CCC(O)CO
InChIInChI=1S/C12H25NO7/c1-20-5-4-12(19)13(6-10(17)8-15)11(18)3-2-9(16)7-14/h9-10,12,14-17,19H,2-8H2,1H3
InChIKeyLWDDVZIPDCNHEI-UHFFFAOYSA-N
XLogP-2.34
TPSA130.69 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.33
LogP ≤ 5-2.34
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydroxypropyl)-4,5-dihydroxy-N-(1-hydroxy-3-methoxypropyl)pentanamide?
The IUPAC name of N-(2,3-dihydroxypropyl)-4,5-dihydroxy-N-(1-hydroxy-3-methoxypropyl)pentanamide (CID 139697255) is N-(2,3-dihydroxypropyl)-4,5-dihydroxy-N-(1-hydroxy-3-methoxypropyl)pentanamide.
What is the SMILES notation for N-(2,3-dihydroxypropyl)-4,5-dihydroxy-N-(1-hydroxy-3-methoxypropyl)pentanamide?
The canonical SMILES for N-(2,3-dihydroxypropyl)-4,5-dihydroxy-N-(1-hydroxy-3-methoxypropyl)pentanamide is COCCC(O)N(CC(O)CO)C(=O)CCC(O)CO.
What is the InChIKey of N-(2,3-dihydroxypropyl)-4,5-dihydroxy-N-(1-hydroxy-3-methoxypropyl)pentanamide?
The InChIKey is LWDDVZIPDCNHEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO7/c1-20-5-4-12(19)13(6-10(17)8-15)11(18)3-2-9(16)7-14/h9-10,12,14-17,19H,2-8H2,1H3.
What are the key properties of N-(2,3-dihydroxypropyl)-4,5-dihydroxy-N-(1-hydroxy-3-methoxypropyl)pentanamide?
N-(2,3-dihydroxypropyl)-4,5-dihydroxy-N-(1-hydroxy-3-methoxypropyl)pentanamide has a molecular weight of 295.33 g/mol, XLogP of -2.34, 11 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydroxypropyl)-4,5-dihydroxy-N-(1-hydroxy-3-methoxypropyl)pentanamide is sourced from PubChem (CID 139697255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).