[6-[[5-[[formyl(phenylmethoxy)amino]methyl]-2-methyl-4-oxononan-3-yl]carbamoylamino]-3-pyridinyl] hypofluorite

C25H33FN4O5 — CID 90688847

IUPAC[6-[[5-[[formyl(phenylmethoxy)amino]methyl]-2-methyl-4-oxononan-3-yl]carbamoylamino]-3-pyridinyl] hypofluorite
SMILESCCCCC(CN(C=O)OCc1ccccc1)C(=O)C(NC(=O)Nc1ccc(OF)cn1)C(C)C
InChIInChI=1S/C25H33FN4O5/c1-4-5-11-20(15-30(17-31)34-16-19-9-7-6-8-10-19)24(32)23(18(2)3)29-25(33)28-22-13-12-21(35-26)14-27-22/h6-10,12-14,17-18,20,23H,4-5,11,15-16H2,1-3H3,(H2,27,28,29,33)
InChIKeyFRQXPTIYCKGBGE-UHFFFAOYSA-N
MW488.56 g/mol
LogP4.46
Rot. Bonds15

About [6-[[5-[[formyl(phenylmethoxy)amino]methyl]-2-methyl-4-oxononan-3-yl]carbamoylamino]-3-pyridinyl] hypofluorite

[6-[[5-[[formyl(phenylmethoxy)amino]methyl]-2-methyl-4-oxononan-3-yl]carbamoylamino]-3-pyridinyl] hypofluorite (PubChem CID 90688847) has the molecular formula C25H33FN4O5 and a molecular weight of 488.56 g/mol. Its IUPAC name is [6-[[5-[[formyl(phenylmethoxy)amino]methyl]-2-methyl-4-oxononan-3-yl]carbamoylamino]-3-pyridinyl] hypofluorite.

Molecular Properties

Compound Name[6-[[5-[[formyl(phenylmethoxy)amino]methyl]-2-methyl-4-oxononan-3-yl]carbamoylamino]-3-pyridinyl] hypofluorite
PubChem CID90688847
Molecular FormulaC25H33FN4O5
Molecular Weight488.56 g/mol
Exact Mass488.24
IUPAC Name[6-[[5-[[formyl(phenylmethoxy)amino]methyl]-2-methyl-4-oxononan-3-yl]carbamoylamino]-3-pyridinyl] hypofluorite
SMILESCCCCC(CN(C=O)OCc1ccccc1)C(=O)C(NC(=O)Nc1ccc(OF)cn1)C(C)C
InChIInChI=1S/C25H33FN4O5/c1-4-5-11-20(15-30(17-31)34-16-19-9-7-6-8-10-19)24(32)23(18(2)3)29-25(33)28-22-13-12-21(35-26)14-27-22/h6-10,12-14,17-18,20,23H,4-5,11,15-16H2,1-3H3,(H2,27,28,29,33)
InChIKeyFRQXPTIYCKGBGE-UHFFFAOYSA-N
XLogP4.46
TPSA109.86 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds15
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.56
LogP ≤ 54.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[[formyl(phenylmethoxy)amino]methyl]hexanoic acid
CID 22256535
(3S)-3-[(5-fluoro-2-pyridinyl)carbamoyl]-2-[(2R)-2-[[formyl(phenylmethoxy)amino]methyl]heptanoyl]pyrazolidine-1-carboxylic acid
CID 88923317
(2R)-N-[(2S)-1-(dimethylamino)-3,3-dimethyl-1-oxobutan-2-yl]-2-[[formyl(phenylmethoxy)amino]methyl]hexanamide
CID 59902207
(2,3,4,5,6-pentafluorophenyl) 2-[[formyl(phenylmethoxy)amino]methyl]hexanoate
CID 22096238
N-(3,3-dimethyl-1-oxo-1-pyridin-2-ylbutan-2-yl)-2-[[formyl(phenylmethoxy)amino]methyl]hexanamide
CID 22733599
(3S)-N-(5-fluoro-2-pyridinyl)-2-[(2R)-2-[[formyl(phenylmethoxy)amino]methyl]heptanoyl]pyrazolidine-3-carboxamide
CID 88923190
N-[2-butyl-4-[(3-methoxyphenyl)carbamoylamino]-5-methyl-3-oxohexyl]-N-hydroxyformamide
CID 90694364
(2R)-N-[(2S)-1-(dimethylamino)-3,3-dimethyl-1-oxobutan-2-yl]-2-[[formyl(hydroxy)amino]methyl]hexanamide;(2R)-N-[(2S)-1-(dimethylamino)-3,3-dimethyl-1-oxobutan-2-yl]-2-[[formyl(phenylmethoxy)amino]methyl]hexanamide
CID 158362695
2-[[formyl(phenylmethoxy)amino]methyl]-N-[1-(4-hydroxyphenyl)-3,3-dimethyl-1-oxobutan-2-yl]hexanamide
CID 21305304
N-(3,3-dimethyl-1-oxo-1-piperidin-1-ylbutan-2-yl)-2-[[formyl(phenylmethoxy)amino]methyl]hexanamide
CID 20752860
(2S)-1-[(2R)-2-[[formyl(phenylmethoxy)amino]methyl]hexanoyl]-N-(6-phenylmethoxy-2-pyridinyl)pyrrolidine-2-carboxamide
CID 58763267
N-[(2R,4S)-2-butyl-4-[(3-hydroxy-5-methyl-2-pyridinyl)carbamoylamino]-5-methyl-3-oxohexyl]-N-hydroxyformamide
CID 142686782

Frequently Asked Questions

What is the IUPAC name of [6-[[5-[[formyl(phenylmethoxy)amino]methyl]-2-methyl-4-oxononan-3-yl]carbamoylamino]-3-pyridinyl] hypofluorite?
The IUPAC name of [6-[[5-[[formyl(phenylmethoxy)amino]methyl]-2-methyl-4-oxononan-3-yl]carbamoylamino]-3-pyridinyl] hypofluorite (CID 90688847) is [6-[[5-[[formyl(phenylmethoxy)amino]methyl]-2-methyl-4-oxononan-3-yl]carbamoylamino]-3-pyridinyl] hypofluorite.
What is the SMILES notation for [6-[[5-[[formyl(phenylmethoxy)amino]methyl]-2-methyl-4-oxononan-3-yl]carbamoylamino]-3-pyridinyl] hypofluorite?
The canonical SMILES for [6-[[5-[[formyl(phenylmethoxy)amino]methyl]-2-methyl-4-oxononan-3-yl]carbamoylamino]-3-pyridinyl] hypofluorite is CCCCC(CN(C=O)OCc1ccccc1)C(=O)C(NC(=O)Nc1ccc(OF)cn1)C(C)C.
What is the InChIKey of [6-[[5-[[formyl(phenylmethoxy)amino]methyl]-2-methyl-4-oxononan-3-yl]carbamoylamino]-3-pyridinyl] hypofluorite?
The InChIKey is FRQXPTIYCKGBGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33FN4O5/c1-4-5-11-20(15-30(17-31)34-16-19-9-7-6-8-10-19)24(32)23(18(2)3)29-25(33)28-22-13-12-21(35-26)14-27-22/h6-10,12-14,17-18,20,23H,4-5,11,15-16H2,1-3H3,(H2,27,28,29,33).
What are the key properties of [6-[[5-[[formyl(phenylmethoxy)amino]methyl]-2-methyl-4-oxononan-3-yl]carbamoylamino]-3-pyridinyl] hypofluorite?
[6-[[5-[[formyl(phenylmethoxy)amino]methyl]-2-methyl-4-oxononan-3-yl]carbamoylamino]-3-pyridinyl] hypofluorite has a molecular weight of 488.56 g/mol, XLogP of 4.46, 15 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[[5-[[formyl(phenylmethoxy)amino]methyl]-2-methyl-4-oxononan-3-yl]carbamoylamino]-3-pyridinyl] hypofluorite is sourced from PubChem (CID 90688847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).