chloro(diazenyl)diazene;(4R)-N-[(1S)-2-(dimethylamino)-2-oxo-1-phenylethyl]-4,5-dihydroxy-6-methylnonanamide

C20H33ClN6O4 — CID 123853536

IUPACchloro(diazenyl)diazene;(4R)-N-[(1S)-2-(dimethylamino)-2-oxo-1-phenylethyl]-4,5-dihydroxy-6-methylnonanamide
SMILESCCCC(C)C(O)[C@H](O)CCC(=O)N[C@H](C(=O)N(C)C)c1ccccc1.[H]/N=N/N=NCl
InChIInChI=1S/C20H32N2O4.ClHN4/c1-5-9-14(2)19(25)16(23)12-13-17(24)21-18(20(26)22(3)4)15-10-7-6-8-11-15;1-3-5-4-2/h6-8,10-11,14,16,18-19,23,25H,5,9,12-13H2,1-4H3,(H,21,24);2H/b;4-2+,5-3?/t14?,16-,18+,19?;/m1./s1
InChIKeyWYCSDDAKHAMDKE-ILJWWARASA-N
MW456.98 g/mol
LogP3.41
Rot. Bonds11

About chloro(diazenyl)diazene;(4R)-N-[(1S)-2-(dimethylamino)-2-oxo-1-phenylethyl]-4,5-dihydroxy-6-methylnonanamide

chloro(diazenyl)diazene;(4R)-N-[(1S)-2-(dimethylamino)-2-oxo-1-phenylethyl]-4,5-dihydroxy-6-methylnonanamide (PubChem CID 123853536) has the molecular formula C20H33ClN6O4 and a molecular weight of 456.98 g/mol. Its IUPAC name is chloro(diazenyl)diazene;(4R)-N-[(1S)-2-(dimethylamino)-2-oxo-1-phenylethyl]-4,5-dihydroxy-6-methylnonanamide.

Molecular Properties

Compound Namechloro(diazenyl)diazene;(4R)-N-[(1S)-2-(dimethylamino)-2-oxo-1-phenylethyl]-4,5-dihydroxy-6-methylnonanamide
PubChem CID123853536
Molecular FormulaC20H33ClN6O4
Molecular Weight456.98 g/mol
Exact Mass456.23
IUPAC Namechloro(diazenyl)diazene;(4R)-N-[(1S)-2-(dimethylamino)-2-oxo-1-phenylethyl]-4,5-dihydroxy-6-methylnonanamide
SMILESCCCC(C)C(O)[C@H](O)CCC(=O)N[C@H](C(=O)N(C)C)c1ccccc1.[H]/N=N/N=NCl
InChIInChI=1S/C20H32N2O4.ClHN4/c1-5-9-14(2)19(25)16(23)12-13-17(24)21-18(20(26)22(3)4)15-10-7-6-8-11-15;1-3-5-4-2/h6-8,10-11,14,16,18-19,23,25H,5,9,12-13H2,1-4H3,(H,21,24);2H/b;4-2+,5-3?/t14?,16-,18+,19?;/m1./s1
InChIKeyWYCSDDAKHAMDKE-ILJWWARASA-N
XLogP3.41
TPSA150.80 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.98
LogP ≤ 53.41
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of chloro(diazenyl)diazene;(4R)-N-[(1S)-2-(dimethylamino)-2-oxo-1-phenylethyl]-4,5-dihydroxy-6-methylnonanamide?
The IUPAC name of chloro(diazenyl)diazene;(4R)-N-[(1S)-2-(dimethylamino)-2-oxo-1-phenylethyl]-4,5-dihydroxy-6-methylnonanamide (CID 123853536) is chloro(diazenyl)diazene;(4R)-N-[(1S)-2-(dimethylamino)-2-oxo-1-phenylethyl]-4,5-dihydroxy-6-methylnonanamide.
What is the SMILES notation for chloro(diazenyl)diazene;(4R)-N-[(1S)-2-(dimethylamino)-2-oxo-1-phenylethyl]-4,5-dihydroxy-6-methylnonanamide?
The canonical SMILES for chloro(diazenyl)diazene;(4R)-N-[(1S)-2-(dimethylamino)-2-oxo-1-phenylethyl]-4,5-dihydroxy-6-methylnonanamide is CCCC(C)C(O)[C@H](O)CCC(=O)N[C@H](C(=O)N(C)C)c1ccccc1.[H]/N=N/N=NCl.
What is the InChIKey of chloro(diazenyl)diazene;(4R)-N-[(1S)-2-(dimethylamino)-2-oxo-1-phenylethyl]-4,5-dihydroxy-6-methylnonanamide?
The InChIKey is WYCSDDAKHAMDKE-ILJWWARASA-N. The full InChI is InChI=1S/C20H32N2O4.ClHN4/c1-5-9-14(2)19(25)16(23)12-13-17(24)21-18(20(26)22(3)4)15-10-7-6-8-11-15;1-3-5-4-2/h6-8,10-11,14,16,18-19,23,25H,5,9,12-13H2,1-4H3,(H,21,24);2H/b;4-2+,5-3?/t14?,16-,18+,19?;/m1./s1.
What are the key properties of chloro(diazenyl)diazene;(4R)-N-[(1S)-2-(dimethylamino)-2-oxo-1-phenylethyl]-4,5-dihydroxy-6-methylnonanamide?
chloro(diazenyl)diazene;(4R)-N-[(1S)-2-(dimethylamino)-2-oxo-1-phenylethyl]-4,5-dihydroxy-6-methylnonanamide has a molecular weight of 456.98 g/mol, XLogP of 3.41, 11 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for chloro(diazenyl)diazene;(4R)-N-[(1S)-2-(dimethylamino)-2-oxo-1-phenylethyl]-4,5-dihydroxy-6-methylnonanamide is sourced from PubChem (CID 123853536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).