N-[[(3S,6R)-3-tert-butyl-2,5-dioxo-1,4-diazacycloicos-6-yl]methyl]-N-hydroxyformamide

C24H45N3O4 — CID 11212822

IUPACN-[[(3S,6R)-3-tert-butyl-2,5-dioxo-1,4-diazacycloicos-6-yl]methyl]-N-hydroxyformamide
SMILESCC(C)(C)[C@@H]1NC(=O)[C@@H](CN(O)C=O)CCCCCCCCCCCCCCNC1=O
InChIInChI=1S/C24H45N3O4/c1-24(2,3)21-23(30)25-17-15-13-11-9-7-5-4-6-8-10-12-14-16-20(22(29)26-21)18-27(31)19-28/h19-21,31H,4-18H2,1-3H3,(H,25,30)(H,26,29)/t20-,21-/m1/s1
InChIKeyRANUWAUPDVMUKD-NHCUHLMSSA-N
MW439.64 g/mol
LogP4.18
Rot. Bonds3

About N-[[(3S,6R)-3-tert-butyl-2,5-dioxo-1,4-diazacycloicos-6-yl]methyl]-N-hydroxyformamide

N-[[(3S,6R)-3-tert-butyl-2,5-dioxo-1,4-diazacycloicos-6-yl]methyl]-N-hydroxyformamide (PubChem CID 11212822) has the molecular formula C24H45N3O4 and a molecular weight of 439.64 g/mol. Its IUPAC name is N-[[(3S,6R)-3-tert-butyl-2,5-dioxo-1,4-diazacycloicos-6-yl]methyl]-N-hydroxyformamide.

Molecular Properties

Compound NameN-[[(3S,6R)-3-tert-butyl-2,5-dioxo-1,4-diazacycloicos-6-yl]methyl]-N-hydroxyformamide
PubChem CID11212822
Molecular FormulaC24H45N3O4
Molecular Weight439.64 g/mol
Exact Mass439.34
IUPAC NameN-[[(3S,6R)-3-tert-butyl-2,5-dioxo-1,4-diazacycloicos-6-yl]methyl]-N-hydroxyformamide
SMILESCC(C)(C)[C@@H]1NC(=O)[C@@H](CN(O)C=O)CCCCCCCCCCCCCCNC1=O
InChIInChI=1S/C24H45N3O4/c1-24(2,3)21-23(30)25-17-15-13-11-9-7-5-4-6-8-10-12-14-16-20(22(29)26-21)18-27(31)19-28/h19-21,31H,4-18H2,1-3H3,(H,25,30)(H,26,29)/t20-,21-/m1/s1
InChIKeyRANUWAUPDVMUKD-NHCUHLMSSA-N
XLogP4.18
TPSA98.74 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.64
LogP ≤ 54.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[4-[(2S,16R)-16-[[formyl(hydroxy)amino]methyl]-3,17-dioxo-1,4-diazacycloheptadec-2-yl]butyl]acetamide
CID 11316984
N-[[(4S)-3,15-dioxo-1,2-diazacyclopentadec-4-yl]methyl]-N-hydroxyformamide
CID 11681185
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3-[(dimethylamino)methyl]piperidin-2-one
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S-[(2-oxoazepan-3-yl)methyl] ethanethioate
CID 155973947
3-(2-hydroxy-3-methylbutyl)azepan-2-one
CID 130495542
3-[(1-hydroxy-2-methylpropan-2-yl)amino]azepan-2-one
CID 43416486
(3R)-3-[2-(4-methylphenyl)-2-oxoethyl]piperidin-2-one
CID 159856465
(3S)-3-(2-amino-2-hydroxyethyl)azepan-2-one
CID 68951784
3-butanoylazepan-2-one
CID 18359756
3-(2,2-difluoroethyl)azepan-2-one
CID 104679699

Frequently Asked Questions

What is the IUPAC name of N-[[(3S,6R)-3-tert-butyl-2,5-dioxo-1,4-diazacycloicos-6-yl]methyl]-N-hydroxyformamide?
The IUPAC name of N-[[(3S,6R)-3-tert-butyl-2,5-dioxo-1,4-diazacycloicos-6-yl]methyl]-N-hydroxyformamide (CID 11212822) is N-[[(3S,6R)-3-tert-butyl-2,5-dioxo-1,4-diazacycloicos-6-yl]methyl]-N-hydroxyformamide.
What is the SMILES notation for N-[[(3S,6R)-3-tert-butyl-2,5-dioxo-1,4-diazacycloicos-6-yl]methyl]-N-hydroxyformamide?
The canonical SMILES for N-[[(3S,6R)-3-tert-butyl-2,5-dioxo-1,4-diazacycloicos-6-yl]methyl]-N-hydroxyformamide is CC(C)(C)[C@@H]1NC(=O)[C@@H](CN(O)C=O)CCCCCCCCCCCCCCNC1=O.
What is the InChIKey of N-[[(3S,6R)-3-tert-butyl-2,5-dioxo-1,4-diazacycloicos-6-yl]methyl]-N-hydroxyformamide?
The InChIKey is RANUWAUPDVMUKD-NHCUHLMSSA-N. The full InChI is InChI=1S/C24H45N3O4/c1-24(2,3)21-23(30)25-17-15-13-11-9-7-5-4-6-8-10-12-14-16-20(22(29)26-21)18-27(31)19-28/h19-21,31H,4-18H2,1-3H3,(H,25,30)(H,26,29)/t20-,21-/m1/s1.
What are the key properties of N-[[(3S,6R)-3-tert-butyl-2,5-dioxo-1,4-diazacycloicos-6-yl]methyl]-N-hydroxyformamide?
N-[[(3S,6R)-3-tert-butyl-2,5-dioxo-1,4-diazacycloicos-6-yl]methyl]-N-hydroxyformamide has a molecular weight of 439.64 g/mol, XLogP of 4.18, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(3S,6R)-3-tert-butyl-2,5-dioxo-1,4-diazacycloicos-6-yl]methyl]-N-hydroxyformamide is sourced from PubChem (CID 11212822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).