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

C20H37N3O4 — CID 11199948

IUPACN-[[(3S,6R)-3-tert-butyl-2,5-dioxo-1,4-diazacyclohexadec-6-yl]methyl]-N-hydroxyformamide
SMILESCC(C)(C)[C@@H]1NC(=O)[C@@H](CN(O)C=O)CCCCCCCCCCNC1=O
InChIInChI=1S/C20H37N3O4/c1-20(2,3)17-19(26)21-13-11-9-7-5-4-6-8-10-12-16(18(25)22-17)14-23(27)15-24/h15-17,27H,4-14H2,1-3H3,(H,21,26)(H,22,25)/t16-,17-/m1/s1
InChIKeyOGUGPIPQYDYEFE-IAGOWNOFSA-N
MW383.53 g/mol
LogP2.62
Rot. Bonds3

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

N-[[(3S,6R)-3-tert-butyl-2,5-dioxo-1,4-diazacyclohexadec-6-yl]methyl]-N-hydroxyformamide (PubChem CID 11199948) has the molecular formula C20H37N3O4 and a molecular weight of 383.53 g/mol. Its IUPAC name is N-[[(3S,6R)-3-tert-butyl-2,5-dioxo-1,4-diazacyclohexadec-6-yl]methyl]-N-hydroxyformamide.

Molecular Properties

Compound NameN-[[(3S,6R)-3-tert-butyl-2,5-dioxo-1,4-diazacyclohexadec-6-yl]methyl]-N-hydroxyformamide
PubChem CID11199948
Molecular FormulaC20H37N3O4
Molecular Weight383.53 g/mol
Exact Mass383.28
IUPAC NameN-[[(3S,6R)-3-tert-butyl-2,5-dioxo-1,4-diazacyclohexadec-6-yl]methyl]-N-hydroxyformamide
SMILESCC(C)(C)[C@@H]1NC(=O)[C@@H](CN(O)C=O)CCCCCCCCCCNC1=O
InChIInChI=1S/C20H37N3O4/c1-20(2,3)17-19(26)21-13-11-9-7-5-4-6-8-10-12-16(18(25)22-17)14-23(27)15-24/h15-17,27H,4-14H2,1-3H3,(H,21,26)(H,22,25)/t16-,17-/m1/s1
InChIKeyOGUGPIPQYDYEFE-IAGOWNOFSA-N
XLogP2.62
TPSA98.74 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.53
LogP ≤ 52.62
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'}

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[[(3S,6R)-3-tert-butyl-2,5-dioxo-1,4-diazacyclohexadec-6-yl]methyl]-N-hydroxyformamide?
The IUPAC name of N-[[(3S,6R)-3-tert-butyl-2,5-dioxo-1,4-diazacyclohexadec-6-yl]methyl]-N-hydroxyformamide (CID 11199948) is N-[[(3S,6R)-3-tert-butyl-2,5-dioxo-1,4-diazacyclohexadec-6-yl]methyl]-N-hydroxyformamide.
What is the SMILES notation for N-[[(3S,6R)-3-tert-butyl-2,5-dioxo-1,4-diazacyclohexadec-6-yl]methyl]-N-hydroxyformamide?
The canonical SMILES for N-[[(3S,6R)-3-tert-butyl-2,5-dioxo-1,4-diazacyclohexadec-6-yl]methyl]-N-hydroxyformamide is CC(C)(C)[C@@H]1NC(=O)[C@@H](CN(O)C=O)CCCCCCCCCCNC1=O.
What is the InChIKey of N-[[(3S,6R)-3-tert-butyl-2,5-dioxo-1,4-diazacyclohexadec-6-yl]methyl]-N-hydroxyformamide?
The InChIKey is OGUGPIPQYDYEFE-IAGOWNOFSA-N. The full InChI is InChI=1S/C20H37N3O4/c1-20(2,3)17-19(26)21-13-11-9-7-5-4-6-8-10-12-16(18(25)22-17)14-23(27)15-24/h15-17,27H,4-14H2,1-3H3,(H,21,26)(H,22,25)/t16-,17-/m1/s1.
What are the key properties of N-[[(3S,6R)-3-tert-butyl-2,5-dioxo-1,4-diazacyclohexadec-6-yl]methyl]-N-hydroxyformamide?
N-[[(3S,6R)-3-tert-butyl-2,5-dioxo-1,4-diazacyclohexadec-6-yl]methyl]-N-hydroxyformamide has a molecular weight of 383.53 g/mol, XLogP of 2.62, 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-diazacyclohexadec-6-yl]methyl]-N-hydroxyformamide is sourced from PubChem (CID 11199948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).