5-acetamido-4-hydroxy-6-[2-hydroxy-3-[(4-phenylbenzoyl)amino]propyl]-N-oxooxane-2-carboxamide

C24H27N3O7 — CID 123468484

IUPAC5-acetamido-4-hydroxy-6-[2-hydroxy-3-[(4-phenylbenzoyl)amino]propyl]-N-oxooxane-2-carboxamide
SMILESCC(=O)NC1C(O)CC(C(=O)N=O)OC1CC(O)CNC(=O)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C24H27N3O7/c1-14(28)26-22-19(30)12-21(24(32)27-33)34-20(22)11-18(29)13-25-23(31)17-9-7-16(8-10-17)15-5-3-2-4-6-15/h2-10,18-22,29-30H,11-13H2,1H3,(H,25,31)(H,26,28)
InChIKeyYNTCQAWTGHXHAL-UHFFFAOYSA-N
MW469.49 g/mol
LogP1.15
Rot. Bonds8

About 5-acetamido-4-hydroxy-6-[2-hydroxy-3-[(4-phenylbenzoyl)amino]propyl]-N-oxooxane-2-carboxamide

5-acetamido-4-hydroxy-6-[2-hydroxy-3-[(4-phenylbenzoyl)amino]propyl]-N-oxooxane-2-carboxamide (PubChem CID 123468484) has the molecular formula C24H27N3O7 and a molecular weight of 469.49 g/mol. Its IUPAC name is 5-acetamido-4-hydroxy-6-[2-hydroxy-3-[(4-phenylbenzoyl)amino]propyl]-N-oxooxane-2-carboxamide.

Molecular Properties

Compound Name5-acetamido-4-hydroxy-6-[2-hydroxy-3-[(4-phenylbenzoyl)amino]propyl]-N-oxooxane-2-carboxamide
PubChem CID123468484
Molecular FormulaC24H27N3O7
Molecular Weight469.49 g/mol
Exact Mass469.18
IUPAC Name5-acetamido-4-hydroxy-6-[2-hydroxy-3-[(4-phenylbenzoyl)amino]propyl]-N-oxooxane-2-carboxamide
SMILESCC(=O)NC1C(O)CC(C(=O)N=O)OC1CC(O)CNC(=O)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C24H27N3O7/c1-14(28)26-22-19(30)12-21(24(32)27-33)34-20(22)11-18(29)13-25-23(31)17-9-7-16(8-10-17)15-5-3-2-4-6-15/h2-10,18-22,29-30H,11-13H2,1H3,(H,25,31)(H,26,28)
InChIKeyYNTCQAWTGHXHAL-UHFFFAOYSA-N
XLogP1.15
TPSA154.39 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.49
LogP ≤ 51.15
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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Related Compounds

methyl 5-acetamido-2-butoxy-4-hydroxy-6-[2-nitroso-3-[(4-phenylbenzoyl)amino]propyl]oxane-2-carboxylate
CID 123599199
N-(2-hydroxypropyl)-4-phenylbenzamide
CID 43391038
N-(2-methylpropyl)-4-(4-phenylphenyl)benzamide
CID 145125410
N-[(2S)-2-cyclohexyl-2-hydroxyethyl]-4-phenylbenzamide
CID 95367502
N-[(2R,3R)-3-[(3R,6R)-3-acetamido-6-acetyl-4-hydroxy-6-[3-(3-oxopropylsulfanyl)propoxy]oxan-2-yl]-2,3-dihydroxypropyl]-4-phenylbenzamide
CID 121306522
4-phenyl-N-[2-[(4-phenylbenzoyl)amino]propyl]benzamide
CID 3732499
5-acetamido-2-(3-ethylsulfanylpropoxy)-4-hydroxy-6-[1-hydroxy-3-[(4-phenylbenzoyl)amino]propyl]-N-oxooxane-2-carboxamide
CID 123920737
N-[2-(furan-3-yl)-2-hydroxyethyl]-4-phenylbenzamide
CID 71798320
[5-acetamido-2-(3-ethylimino-2-hydrazinylidenepropoxy)-4-hydroxy-6-[3-hydroxy-4-[(4-phenylbenzoyl)amino]butan-2-yl]oxane-2-carbonyl]-methyl-oxoazanium
CID 123568493
N-[2-hydroxy-3-(hydroxyamino)-3-oxopropyl]-4-phenylbenzamide
CID 59697016
5-acetamido-6-[1,2-dihydroxy-3-[(4-phenylbenzoyl)amino]propyl]-2-[3-[3-(hexylamino)-3-oxopropyl]sulfanylpropoxy]-4-hydroxy-N-oxooxane-2-carboxamide
CID 123342751
N-[(2R,3R)-3-[(2R,3R,4S,6R)-3-acetamido-6-formyl-4-hydroxy-6-[3-[2-[2-[2-[2-(2-nonoxyethoxy)ethoxy]ethoxy]ethoxy]ethylsulfanyl]propoxy]oxan-2-yl]-2,3-dihydroxypropyl]-4-phenylbenzamide
CID 160629835

Frequently Asked Questions

What is the IUPAC name of 5-acetamido-4-hydroxy-6-[2-hydroxy-3-[(4-phenylbenzoyl)amino]propyl]-N-oxooxane-2-carboxamide?
The IUPAC name of 5-acetamido-4-hydroxy-6-[2-hydroxy-3-[(4-phenylbenzoyl)amino]propyl]-N-oxooxane-2-carboxamide (CID 123468484) is 5-acetamido-4-hydroxy-6-[2-hydroxy-3-[(4-phenylbenzoyl)amino]propyl]-N-oxooxane-2-carboxamide.
What is the SMILES notation for 5-acetamido-4-hydroxy-6-[2-hydroxy-3-[(4-phenylbenzoyl)amino]propyl]-N-oxooxane-2-carboxamide?
The canonical SMILES for 5-acetamido-4-hydroxy-6-[2-hydroxy-3-[(4-phenylbenzoyl)amino]propyl]-N-oxooxane-2-carboxamide is CC(=O)NC1C(O)CC(C(=O)N=O)OC1CC(O)CNC(=O)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of 5-acetamido-4-hydroxy-6-[2-hydroxy-3-[(4-phenylbenzoyl)amino]propyl]-N-oxooxane-2-carboxamide?
The InChIKey is YNTCQAWTGHXHAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O7/c1-14(28)26-22-19(30)12-21(24(32)27-33)34-20(22)11-18(29)13-25-23(31)17-9-7-16(8-10-17)15-5-3-2-4-6-15/h2-10,18-22,29-30H,11-13H2,1H3,(H,25,31)(H,26,28).
What are the key properties of 5-acetamido-4-hydroxy-6-[2-hydroxy-3-[(4-phenylbenzoyl)amino]propyl]-N-oxooxane-2-carboxamide?
5-acetamido-4-hydroxy-6-[2-hydroxy-3-[(4-phenylbenzoyl)amino]propyl]-N-oxooxane-2-carboxamide has a molecular weight of 469.49 g/mol, XLogP of 1.15, 8 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-acetamido-4-hydroxy-6-[2-hydroxy-3-[(4-phenylbenzoyl)amino]propyl]-N-oxooxane-2-carboxamide is sourced from PubChem (CID 123468484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).