N'-butyl-N-diphenoxyphosphoryl-2-phenylethanimidamide

C24H27N2O3P — CID 46225477

IUPACN'-butyl-N-diphenoxyphosphoryl-2-phenylethanimidamide
SMILESCCCC/N=C(\Cc1ccccc1)NP(=O)(Oc1ccccc1)Oc1ccccc1
InChIInChI=1S/C24H27N2O3P/c1-2-3-19-25-24(20-21-13-7-4-8-14-21)26-30(27,28-22-15-9-5-10-16-22)29-23-17-11-6-12-18-23/h4-18H,2-3,19-20H2,1H3,(H,25,26,27)
InChIKeyOVQGJBBSSYBCQH-UHFFFAOYSA-N
MW422.47 g/mol
LogP6.28
Rot. Bonds10

About N'-butyl-N-diphenoxyphosphoryl-2-phenylethanimidamide

N'-butyl-N-diphenoxyphosphoryl-2-phenylethanimidamide (PubChem CID 46225477) has the molecular formula C24H27N2O3P and a molecular weight of 422.47 g/mol. Its IUPAC name is N'-butyl-N-diphenoxyphosphoryl-2-phenylethanimidamide.

Molecular Properties

Compound NameN'-butyl-N-diphenoxyphosphoryl-2-phenylethanimidamide
PubChem CID46225477
Molecular FormulaC24H27N2O3P
Molecular Weight422.47 g/mol
Exact Mass422.18
IUPAC NameN'-butyl-N-diphenoxyphosphoryl-2-phenylethanimidamide
SMILESCCCC/N=C(\Cc1ccccc1)NP(=O)(Oc1ccccc1)Oc1ccccc1
InChIInChI=1S/C24H27N2O3P/c1-2-3-19-25-24(20-21-13-7-4-8-14-21)26-30(27,28-22-15-9-5-10-16-22)29-23-17-11-6-12-18-23/h4-18H,2-3,19-20H2,1H3,(H,25,26,27)
InChIKeyOVQGJBBSSYBCQH-UHFFFAOYSA-N
XLogP6.28
TPSA59.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.47
LogP ≤ 56.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

N'-butyl-N-(4-methylphenyl)-2-phenylethanimidamide
CID 102183078
N'-butyl-N-ethyl-3-phenylpropanimidamide
CID 15880906
hexyl phenyl hydrogen phosphate
CID 66863526
phenoxy(undecyl)phosphinic acid
CID 87383274
alumane;phenyl tetradecyl hydrogen phosphate
CID 173415537
[butyl(propyl)phosphoryl]oxybenzene
CID 23081695
N-diphenoxyphosphoryl-2-phenylethanamine
CID 26793774
butyl diphenoxyphosphorylmethanedithioate
CID 12064349
diphenyl hydrogen phosphate;hept-2-ene
CID 160671397
phenyl N'-butyl-N-cyanocarbamimidate
CID 139603444
[hydroxy(phenoxy)phosphoryl] octadecanoate
CID 174873653
(3-pentadecylphenyl) diphenyl phosphate
CID 101494107

Frequently Asked Questions

What is the IUPAC name of N'-butyl-N-diphenoxyphosphoryl-2-phenylethanimidamide?
The IUPAC name of N'-butyl-N-diphenoxyphosphoryl-2-phenylethanimidamide (CID 46225477) is N'-butyl-N-diphenoxyphosphoryl-2-phenylethanimidamide.
What is the SMILES notation for N'-butyl-N-diphenoxyphosphoryl-2-phenylethanimidamide?
The canonical SMILES for N'-butyl-N-diphenoxyphosphoryl-2-phenylethanimidamide is CCCC/N=C(\Cc1ccccc1)NP(=O)(Oc1ccccc1)Oc1ccccc1.
What is the InChIKey of N'-butyl-N-diphenoxyphosphoryl-2-phenylethanimidamide?
The InChIKey is OVQGJBBSSYBCQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N2O3P/c1-2-3-19-25-24(20-21-13-7-4-8-14-21)26-30(27,28-22-15-9-5-10-16-22)29-23-17-11-6-12-18-23/h4-18H,2-3,19-20H2,1H3,(H,25,26,27).
What are the key properties of N'-butyl-N-diphenoxyphosphoryl-2-phenylethanimidamide?
N'-butyl-N-diphenoxyphosphoryl-2-phenylethanimidamide has a molecular weight of 422.47 g/mol, XLogP of 6.28, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-butyl-N-diphenoxyphosphoryl-2-phenylethanimidamide is sourced from PubChem (CID 46225477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).