N'-[1,3-bis(diethoxyphosphoryl)butyl]benzohydrazide

C19H34N2O7P2 — CID 135009826

IUPACN'-[1,3-bis(diethoxyphosphoryl)butyl]benzohydrazide
SMILESCCOP(=O)(OCC)C(C)CC(NNC(=O)c1ccccc1)P(=O)(OCC)OCC
InChIInChI=1S/C19H34N2O7P2/c1-6-25-29(23,26-7-2)16(5)15-18(30(24,27-8-3)28-9-4)20-21-19(22)17-13-11-10-12-14-17/h10-14,16,18,20H,6-9,15H2,1-5H3,(H,21,22)
InChIKeyNNLNLPCBHGPGRU-UHFFFAOYSA-N
MW464.44 g/mol
LogP4.56
Rot. Bonds15

About N'-[1,3-bis(diethoxyphosphoryl)butyl]benzohydrazide

N'-[1,3-bis(diethoxyphosphoryl)butyl]benzohydrazide (PubChem CID 135009826) has the molecular formula C19H34N2O7P2 and a molecular weight of 464.44 g/mol. Its IUPAC name is N'-[1,3-bis(diethoxyphosphoryl)butyl]benzohydrazide.

Molecular Properties

Compound NameN'-[1,3-bis(diethoxyphosphoryl)butyl]benzohydrazide
PubChem CID135009826
Molecular FormulaC19H34N2O7P2
Molecular Weight464.44 g/mol
Exact Mass464.18
IUPAC NameN'-[1,3-bis(diethoxyphosphoryl)butyl]benzohydrazide
SMILESCCOP(=O)(OCC)C(C)CC(NNC(=O)c1ccccc1)P(=O)(OCC)OCC
InChIInChI=1S/C19H34N2O7P2/c1-6-25-29(23,26-7-2)16(5)15-18(30(24,27-8-3)28-9-4)20-21-19(22)17-13-11-10-12-14-17/h10-14,16,18,20H,6-9,15H2,1-5H3,(H,21,22)
InChIKeyNNLNLPCBHGPGRU-UHFFFAOYSA-N
XLogP4.56
TPSA112.19 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds15
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.44
LogP ≤ 54.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

N'-[diethoxyphosphoryl(phenyl)methyl]benzohydrazide
CID 14923152
ethyl 2-(2-benzoylhydrazinyl)propanoate
CID 19432092
N'-[(2R)-4-methylpentan-2-yl]benzohydrazide
CID 134953051
N-(1-diethoxyphosphoryl-3-oxopent-4-enyl)benzamide
CID 14790029
[(1R)-1-diethoxyphosphorylethyl] benzoate
CID 101479504
methyl N-[(1S)-1-diethoxyphosphoryl-2-oxo-2-phenylethyl]carbamate
CID 2133146
N-[(1S)-1-diethoxyphosphoryl-2-oxoethyl]benzamide
CID 40537671
ethyl 4-[1-(2-benzoylhydrazinyl)ethyl]benzoate
CID 19432093
2-diethoxyphosphoryl-2-hydroxy-1-phenylethanone
CID 122232536
N'-[(2R)-3-methylbutan-2-yl]benzohydrazide
CID 134967079
N-[(R)-diethoxyphosphoryl(phenyl)methyl]-4-fluorobenzamide
CID 2324721
N-diethoxyphosphinothioylbenzamide
CID 131847254

Frequently Asked Questions

What is the IUPAC name of N'-[1,3-bis(diethoxyphosphoryl)butyl]benzohydrazide?
The IUPAC name of N'-[1,3-bis(diethoxyphosphoryl)butyl]benzohydrazide (CID 135009826) is N'-[1,3-bis(diethoxyphosphoryl)butyl]benzohydrazide.
What is the SMILES notation for N'-[1,3-bis(diethoxyphosphoryl)butyl]benzohydrazide?
The canonical SMILES for N'-[1,3-bis(diethoxyphosphoryl)butyl]benzohydrazide is CCOP(=O)(OCC)C(C)CC(NNC(=O)c1ccccc1)P(=O)(OCC)OCC.
What is the InChIKey of N'-[1,3-bis(diethoxyphosphoryl)butyl]benzohydrazide?
The InChIKey is NNLNLPCBHGPGRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H34N2O7P2/c1-6-25-29(23,26-7-2)16(5)15-18(30(24,27-8-3)28-9-4)20-21-19(22)17-13-11-10-12-14-17/h10-14,16,18,20H,6-9,15H2,1-5H3,(H,21,22).
What are the key properties of N'-[1,3-bis(diethoxyphosphoryl)butyl]benzohydrazide?
N'-[1,3-bis(diethoxyphosphoryl)butyl]benzohydrazide has a molecular weight of 464.44 g/mol, XLogP of 4.56, 15 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[1,3-bis(diethoxyphosphoryl)butyl]benzohydrazide is sourced from PubChem (CID 135009826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).