2-benzyl-4-hydroxy-5-(3-methylbutoxy)pentanehydrazide;oxalic acid

C19H30N2O7 — CID 128963437

IUPAC2-benzyl-4-hydroxy-5-(3-methylbutoxy)pentanehydrazide;oxalic acid
SMILESCC(C)CCOCC(O)CC(Cc1ccccc1)C(=O)NN.O=C(O)C(=O)O
InChIInChI=1S/C17H28N2O3.C2H2O4/c1-13(2)8-9-22-12-16(20)11-15(17(21)19-18)10-14-6-4-3-5-7-14;3-1(4)2(5)6/h3-7,13,15-16,20H,8-12,18H2,1-2H3,(H,19,21);(H,3,4)(H,5,6)
InChIKeyVBOMCRYSQUNNNG-UHFFFAOYSA-N
MW398.46 g/mol
LogP0.80
Rot. Bonds10

About 2-benzyl-4-hydroxy-5-(3-methylbutoxy)pentanehydrazide;oxalic acid

2-benzyl-4-hydroxy-5-(3-methylbutoxy)pentanehydrazide;oxalic acid (PubChem CID 128963437) has the molecular formula C19H30N2O7 and a molecular weight of 398.46 g/mol. Its IUPAC name is 2-benzyl-4-hydroxy-5-(3-methylbutoxy)pentanehydrazide;oxalic acid.

Molecular Properties

Compound Name2-benzyl-4-hydroxy-5-(3-methylbutoxy)pentanehydrazide;oxalic acid
PubChem CID128963437
Molecular FormulaC19H30N2O7
Molecular Weight398.46 g/mol
Exact Mass398.21
IUPAC Name2-benzyl-4-hydroxy-5-(3-methylbutoxy)pentanehydrazide;oxalic acid
SMILESCC(C)CCOCC(O)CC(Cc1ccccc1)C(=O)NN.O=C(O)C(=O)O
InChIInChI=1S/C17H28N2O3.C2H2O4/c1-13(2)8-9-22-12-16(20)11-15(17(21)19-18)10-14-6-4-3-5-7-14;3-1(4)2(5)6/h3-7,13,15-16,20H,8-12,18H2,1-2H3,(H,19,21);(H,3,4)(H,5,6)
InChIKeyVBOMCRYSQUNNNG-UHFFFAOYSA-N
XLogP0.80
TPSA159.18 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.46
LogP ≤ 50.80
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(3-butoxy-2-hydroxypropyl)pentanedihydrazide
CID 3100698
3-methylbutyl 2-amino-3-phenylpropanoate
CID 61278471
2-methylpropyl (3R,5S)-3,5-dihydroxy-6-phenylmethoxyhexanoate
CID 142188998
butyl N-(2-benzyl-3-hydrazinyl-3-oxopropyl)carbamate
CID 69401641
2-benzyl-4-propoxybutanoic acid
CID 106454836
4-hydroxy-5-(2-methoxyethoxy)-2-[(4-methylphenyl)methyl]pentanoic acid
CID 106991547
2-hydroxy-5-methyl-N-phenylmethoxyhexanamide
CID 174417075
oxalic acid;1-phenylpropan-2-ol
CID 162336088
2-(aminomethyl)-N-(4-methylpentyl)-3-phenylpropanamide
CID 63002980
methyl 4-(2-hydroxy-3-phenylpropoxy)butanoate
CID 175954688
2-methylpropyl 2-benzylbutanoate
CID 163514703
2-benzyl-4-methylpentanoic acid
CID 15416243

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-4-hydroxy-5-(3-methylbutoxy)pentanehydrazide;oxalic acid?
The IUPAC name of 2-benzyl-4-hydroxy-5-(3-methylbutoxy)pentanehydrazide;oxalic acid (CID 128963437) is 2-benzyl-4-hydroxy-5-(3-methylbutoxy)pentanehydrazide;oxalic acid.
What is the SMILES notation for 2-benzyl-4-hydroxy-5-(3-methylbutoxy)pentanehydrazide;oxalic acid?
The canonical SMILES for 2-benzyl-4-hydroxy-5-(3-methylbutoxy)pentanehydrazide;oxalic acid is CC(C)CCOCC(O)CC(Cc1ccccc1)C(=O)NN.O=C(O)C(=O)O.
What is the InChIKey of 2-benzyl-4-hydroxy-5-(3-methylbutoxy)pentanehydrazide;oxalic acid?
The InChIKey is VBOMCRYSQUNNNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O3.C2H2O4/c1-13(2)8-9-22-12-16(20)11-15(17(21)19-18)10-14-6-4-3-5-7-14;3-1(4)2(5)6/h3-7,13,15-16,20H,8-12,18H2,1-2H3,(H,19,21);(H,3,4)(H,5,6).
What are the key properties of 2-benzyl-4-hydroxy-5-(3-methylbutoxy)pentanehydrazide;oxalic acid?
2-benzyl-4-hydroxy-5-(3-methylbutoxy)pentanehydrazide;oxalic acid has a molecular weight of 398.46 g/mol, XLogP of 0.80, 10 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-4-hydroxy-5-(3-methylbutoxy)pentanehydrazide;oxalic acid is sourced from PubChem (CID 128963437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).