4-methyl-N'-[methyl(phenyl)phosphoryl]pentanehydrazide

C13H21N2O2P — CID 67675456

IUPAC4-methyl-N'-[methyl(phenyl)phosphoryl]pentanehydrazide
SMILESCC(C)CCC(=O)NN[P@](C)(=O)c1ccccc1
InChIInChI=1S/C13H21N2O2P/c1-11(2)9-10-13(16)14-15-18(3,17)12-7-5-4-6-8-12/h4-8,11H,9-10H2,1-3H3,(H,14,16)(H,15,17)/t18-/m1/s1
InChIKeyNOSDZLMOLZWCCR-GOSISDBHSA-N
MW268.30 g/mol
LogP2.28
Rot. Bonds6

About 4-methyl-N'-[methyl(phenyl)phosphoryl]pentanehydrazide

4-methyl-N'-[methyl(phenyl)phosphoryl]pentanehydrazide (PubChem CID 67675456) has the molecular formula C13H21N2O2P and a molecular weight of 268.30 g/mol. Its IUPAC name is 4-methyl-N'-[methyl(phenyl)phosphoryl]pentanehydrazide.

Molecular Properties

Compound Name4-methyl-N'-[methyl(phenyl)phosphoryl]pentanehydrazide
PubChem CID67675456
Molecular FormulaC13H21N2O2P
Molecular Weight268.30 g/mol
Exact Mass268.13
IUPAC Name4-methyl-N'-[methyl(phenyl)phosphoryl]pentanehydrazide
SMILESCC(C)CCC(=O)NN[P@](C)(=O)c1ccccc1
InChIInChI=1S/C13H21N2O2P/c1-11(2)9-10-13(16)14-15-18(3,17)12-7-5-4-6-8-12/h4-8,11H,9-10H2,1-3H3,(H,14,16)(H,15,17)/t18-/m1/s1
InChIKeyNOSDZLMOLZWCCR-GOSISDBHSA-N
XLogP2.28
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.30
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N'-[methyl(phenyl)phosphoryl]pentanehydrazide?
The IUPAC name of 4-methyl-N'-[methyl(phenyl)phosphoryl]pentanehydrazide (CID 67675456) is 4-methyl-N'-[methyl(phenyl)phosphoryl]pentanehydrazide.
What is the SMILES notation for 4-methyl-N'-[methyl(phenyl)phosphoryl]pentanehydrazide?
The canonical SMILES for 4-methyl-N'-[methyl(phenyl)phosphoryl]pentanehydrazide is CC(C)CCC(=O)NN[P@](C)(=O)c1ccccc1.
What is the InChIKey of 4-methyl-N'-[methyl(phenyl)phosphoryl]pentanehydrazide?
The InChIKey is NOSDZLMOLZWCCR-GOSISDBHSA-N. The full InChI is InChI=1S/C13H21N2O2P/c1-11(2)9-10-13(16)14-15-18(3,17)12-7-5-4-6-8-12/h4-8,11H,9-10H2,1-3H3,(H,14,16)(H,15,17)/t18-/m1/s1.
What are the key properties of 4-methyl-N'-[methyl(phenyl)phosphoryl]pentanehydrazide?
4-methyl-N'-[methyl(phenyl)phosphoryl]pentanehydrazide has a molecular weight of 268.30 g/mol, XLogP of 2.28, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N'-[methyl(phenyl)phosphoryl]pentanehydrazide is sourced from PubChem (CID 67675456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).