N-[2-[4-[4-(3,5-dihydroxyoxan-2-yl)oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]ethyl]pentanamide

C24H37NO10 — CID 161154911

IUPACN-[2-[4-[4-(3,5-dihydroxyoxan-2-yl)oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]ethyl]pentanamide
SMILESCCCCC(=O)NCCc1ccc(OC2OC(CO)C(O)C(OC3OCC(O)CC3O)C2O)cc1
InChIInChI=1S/C24H37NO10/c1-2-3-4-19(29)25-10-9-14-5-7-16(8-6-14)33-24-21(31)22(20(30)18(12-26)34-24)35-23-17(28)11-15(27)13-32-23/h5-8,15,17-18,20-24,26-28,30-31H,2-4,9-13H2,1H3,(H,25,29)
InChIKeySPZLTQYKFHRZBR-UHFFFAOYSA-N
MW499.56 g/mol
LogP-0.79
Rot. Bonds11

About N-[2-[4-[4-(3,5-dihydroxyoxan-2-yl)oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]ethyl]pentanamide

N-[2-[4-[4-(3,5-dihydroxyoxan-2-yl)oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]ethyl]pentanamide (PubChem CID 161154911) has the molecular formula C24H37NO10 and a molecular weight of 499.56 g/mol. Its IUPAC name is N-[2-[4-[4-(3,5-dihydroxyoxan-2-yl)oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]ethyl]pentanamide.

Molecular Properties

Compound NameN-[2-[4-[4-(3,5-dihydroxyoxan-2-yl)oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]ethyl]pentanamide
PubChem CID161154911
Molecular FormulaC24H37NO10
Molecular Weight499.56 g/mol
Exact Mass499.24
IUPAC NameN-[2-[4-[4-(3,5-dihydroxyoxan-2-yl)oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]ethyl]pentanamide
SMILESCCCCC(=O)NCCc1ccc(OC2OC(CO)C(O)C(OC3OCC(O)CC3O)C2O)cc1
InChIInChI=1S/C24H37NO10/c1-2-3-4-19(29)25-10-9-14-5-7-16(8-6-14)33-24-21(31)22(20(30)18(12-26)34-24)35-23-17(28)11-15(27)13-32-23/h5-8,15,17-18,20-24,26-28,30-31H,2-4,9-13H2,1H3,(H,25,29)
InChIKeySPZLTQYKFHRZBR-UHFFFAOYSA-N
XLogP-0.79
TPSA167.17 Ų
H-Bond Donors6
H-Bond Acceptors10
Rotatable Bonds11
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500499.56
LogP ≤ 5-0.79
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1010

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Related Compounds

(2S,4S,5S)-2-[4-(2-aminoethyl)phenoxy]-4-[(2S,5S)-3,5-dihydroxyoxan-2-yl]oxy-6-(hydroxymethyl)oxane-3,5-diol
CID 126497808
N-[3-[(2R,3R,4S,5R,6R)-3,5-dihydroxy-6-(hydroxymethyl)-4-[(2R,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxypropyl]octanamide
CID 101447673
N-[3-[4-[(2S,3R,4R,5R,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyanilino]-3-oxopropyl]pentanamide
CID 172857791
2-[5-hydroxy-3-[[4-hydroxy-5-(hydroxymethyl)-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxolan-2-yl]methoxy]-2-(hydroxymethyl)-6-[4-[2-(4-sulfanylbutanoylamino)ethyl]phenoxy]oxan-4-yl]oxy-3-phenylpropanoic acid
CID 167190782
N-butyl-2-[(2R,3S,4S,5R,6S)-3,5-dihydroxy-2-(hydroxymethyl)-6-(4-nitrophenoxy)oxan-4-yl]oxyacetamide
CID 54293749
(2S,3R,4S,5R,6R)-2-[(2R,3R,4R,5R,6S)-6-[(2R,3S,4R,5R,6S)-4,5-dihydroxy-2-(hydroxymethyl)-6-(4-octylphenoxy)oxan-3-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
CID 86749339
(2S,3R,4S,5R,6R)-2-[(2R,3R,4R,5R,6S)-6-[(2R,3S,4R,5R,6S)-6-(4-heptylphenoxy)-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
CID 86749341
N-[4-[(3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]dodecanamide
CID 21079998
(2R,3R,5S)-2-[(2S,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxyoxane-3,5-diol
CID 71070700
1-[4-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]pentan-1-one
CID 71765866
N-[3-[(2R,4R,5R)-3-acetamido-5-[(2R,5R,6R)-3,5-dihydroxy-6-(hydroxymethyl)-4-[(2S,4S,5R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropyl]pentanamide
CID 59921531
(2S,3R,4S,5R)-2-[(2R,3R,4S,5R,6S)-3,5-dihydroxy-2-(hydroxymethyl)-6-(4-nitrophenoxy)oxan-4-yl]oxyoxane-3,4,5-triol
CID 101001160

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-[4-(3,5-dihydroxyoxan-2-yl)oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]ethyl]pentanamide?
The IUPAC name of N-[2-[4-[4-(3,5-dihydroxyoxan-2-yl)oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]ethyl]pentanamide (CID 161154911) is N-[2-[4-[4-(3,5-dihydroxyoxan-2-yl)oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]ethyl]pentanamide.
What is the SMILES notation for N-[2-[4-[4-(3,5-dihydroxyoxan-2-yl)oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]ethyl]pentanamide?
The canonical SMILES for N-[2-[4-[4-(3,5-dihydroxyoxan-2-yl)oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]ethyl]pentanamide is CCCCC(=O)NCCc1ccc(OC2OC(CO)C(O)C(OC3OCC(O)CC3O)C2O)cc1.
What is the InChIKey of N-[2-[4-[4-(3,5-dihydroxyoxan-2-yl)oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]ethyl]pentanamide?
The InChIKey is SPZLTQYKFHRZBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H37NO10/c1-2-3-4-19(29)25-10-9-14-5-7-16(8-6-14)33-24-21(31)22(20(30)18(12-26)34-24)35-23-17(28)11-15(27)13-32-23/h5-8,15,17-18,20-24,26-28,30-31H,2-4,9-13H2,1H3,(H,25,29).
What are the key properties of N-[2-[4-[4-(3,5-dihydroxyoxan-2-yl)oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]ethyl]pentanamide?
N-[2-[4-[4-(3,5-dihydroxyoxan-2-yl)oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]ethyl]pentanamide has a molecular weight of 499.56 g/mol, XLogP of -0.79, 11 rotatable bonds, 6 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-[4-(3,5-dihydroxyoxan-2-yl)oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]ethyl]pentanamide is sourced from PubChem (CID 161154911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).