(2R)-N-[(2S)-1-(dimethylamino)-3,3-dimethyl-1-oxobutan-2-yl]-2-[2-(hydroxyamino)oxy-1-(quinolin-8-ylmethoxy)ethyl]-4-methylpentanamide

C26H40N4O5 — CID 59886784

IUPAC(2R)-N-[(2S)-1-(dimethylamino)-3,3-dimethyl-1-oxobutan-2-yl]-2-[2-(hydroxyamino)oxy-1-(quinolin-8-ylmethoxy)ethyl]-4-methylpentanamide
SMILESCC(C)C[C@@H](C(=O)N[C@H](C(=O)N(C)C)C(C)(C)C)C(CONO)OCc1cccc2cccnc12
InChIInChI=1S/C26H40N4O5/c1-17(2)14-20(24(31)28-23(26(3,4)5)25(32)30(6)7)21(16-35-29-33)34-15-19-11-8-10-18-12-9-13-27-22(18)19/h8-13,17,20-21,23,29,33H,14-16H2,1-7H3,(H,28,31)/t20-,21?,23-/m1/s1
InChIKeyZEGSNQBALPILFZ-RAMXQINQSA-N
MW488.63 g/mol
LogP3.31
Rot. Bonds12

About (2R)-N-[(2S)-1-(dimethylamino)-3,3-dimethyl-1-oxobutan-2-yl]-2-[2-(hydroxyamino)oxy-1-(quinolin-8-ylmethoxy)ethyl]-4-methylpentanamide

(2R)-N-[(2S)-1-(dimethylamino)-3,3-dimethyl-1-oxobutan-2-yl]-2-[2-(hydroxyamino)oxy-1-(quinolin-8-ylmethoxy)ethyl]-4-methylpentanamide (PubChem CID 59886784) has the molecular formula C26H40N4O5 and a molecular weight of 488.63 g/mol. Its IUPAC name is (2R)-N-[(2S)-1-(dimethylamino)-3,3-dimethyl-1-oxobutan-2-yl]-2-[2-(hydroxyamino)oxy-1-(quinolin-8-ylmethoxy)ethyl]-4-methylpentanamide.

Molecular Properties

Compound Name(2R)-N-[(2S)-1-(dimethylamino)-3,3-dimethyl-1-oxobutan-2-yl]-2-[2-(hydroxyamino)oxy-1-(quinolin-8-ylmethoxy)ethyl]-4-methylpentanamide
PubChem CID59886784
Molecular FormulaC26H40N4O5
Molecular Weight488.63 g/mol
Exact Mass488.30
IUPAC Name(2R)-N-[(2S)-1-(dimethylamino)-3,3-dimethyl-1-oxobutan-2-yl]-2-[2-(hydroxyamino)oxy-1-(quinolin-8-ylmethoxy)ethyl]-4-methylpentanamide
SMILESCC(C)C[C@@H](C(=O)N[C@H](C(=O)N(C)C)C(C)(C)C)C(CONO)OCc1cccc2cccnc12
InChIInChI=1S/C26H40N4O5/c1-17(2)14-20(24(31)28-23(26(3,4)5)25(32)30(6)7)21(16-35-29-33)34-15-19-11-8-10-18-12-9-13-27-22(18)19/h8-13,17,20-21,23,29,33H,14-16H2,1-7H3,(H,28,31)/t20-,21?,23-/m1/s1
InChIKeyZEGSNQBALPILFZ-RAMXQINQSA-N
XLogP3.31
TPSA113.02 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds12
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.63
LogP ≤ 53.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2R)-N-[(2S)-1-(dimethylamino)-3,3-dimethyl-1-oxobutan-2-yl]-2-[2-(hydroxyamino)oxy-1-(quinolin-8-ylmethoxy)ethyl]-4-methylpentanamide?
The IUPAC name of (2R)-N-[(2S)-1-(dimethylamino)-3,3-dimethyl-1-oxobutan-2-yl]-2-[2-(hydroxyamino)oxy-1-(quinolin-8-ylmethoxy)ethyl]-4-methylpentanamide (CID 59886784) is (2R)-N-[(2S)-1-(dimethylamino)-3,3-dimethyl-1-oxobutan-2-yl]-2-[2-(hydroxyamino)oxy-1-(quinolin-8-ylmethoxy)ethyl]-4-methylpentanamide.
What is the SMILES notation for (2R)-N-[(2S)-1-(dimethylamino)-3,3-dimethyl-1-oxobutan-2-yl]-2-[2-(hydroxyamino)oxy-1-(quinolin-8-ylmethoxy)ethyl]-4-methylpentanamide?
The canonical SMILES for (2R)-N-[(2S)-1-(dimethylamino)-3,3-dimethyl-1-oxobutan-2-yl]-2-[2-(hydroxyamino)oxy-1-(quinolin-8-ylmethoxy)ethyl]-4-methylpentanamide is CC(C)C[C@@H](C(=O)N[C@H](C(=O)N(C)C)C(C)(C)C)C(CONO)OCc1cccc2cccnc12.
What is the InChIKey of (2R)-N-[(2S)-1-(dimethylamino)-3,3-dimethyl-1-oxobutan-2-yl]-2-[2-(hydroxyamino)oxy-1-(quinolin-8-ylmethoxy)ethyl]-4-methylpentanamide?
The InChIKey is ZEGSNQBALPILFZ-RAMXQINQSA-N. The full InChI is InChI=1S/C26H40N4O5/c1-17(2)14-20(24(31)28-23(26(3,4)5)25(32)30(6)7)21(16-35-29-33)34-15-19-11-8-10-18-12-9-13-27-22(18)19/h8-13,17,20-21,23,29,33H,14-16H2,1-7H3,(H,28,31)/t20-,21?,23-/m1/s1.
What are the key properties of (2R)-N-[(2S)-1-(dimethylamino)-3,3-dimethyl-1-oxobutan-2-yl]-2-[2-(hydroxyamino)oxy-1-(quinolin-8-ylmethoxy)ethyl]-4-methylpentanamide?
(2R)-N-[(2S)-1-(dimethylamino)-3,3-dimethyl-1-oxobutan-2-yl]-2-[2-(hydroxyamino)oxy-1-(quinolin-8-ylmethoxy)ethyl]-4-methylpentanamide has a molecular weight of 488.63 g/mol, XLogP of 3.31, 12 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[(2S)-1-(dimethylamino)-3,3-dimethyl-1-oxobutan-2-yl]-2-[2-(hydroxyamino)oxy-1-(quinolin-8-ylmethoxy)ethyl]-4-methylpentanamide is sourced from PubChem (CID 59886784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).