N-(3-diethoxyphosphoryl-3-phenylpropyl)-N-phenylmethoxyformamide

C21H28NO5P — CID 11315702

IUPACN-(3-diethoxyphosphoryl-3-phenylpropyl)-N-phenylmethoxyformamide
SMILESCCOP(=O)(OCC)C(CCN(C=O)OCc1ccccc1)c1ccccc1
InChIInChI=1S/C21H28NO5P/c1-3-26-28(24,27-4-2)21(20-13-9-6-10-14-20)15-16-22(18-23)25-17-19-11-7-5-8-12-19/h5-14,18,21H,3-4,15-17H2,1-2H3
InChIKeyAOHNMUPDHMQYKD-UHFFFAOYSA-N
MW405.43 g/mol
LogP4.97
Rot. Bonds13

About N-(3-diethoxyphosphoryl-3-phenylpropyl)-N-phenylmethoxyformamide

N-(3-diethoxyphosphoryl-3-phenylpropyl)-N-phenylmethoxyformamide (PubChem CID 11315702) has the molecular formula C21H28NO5P and a molecular weight of 405.43 g/mol. Its IUPAC name is N-(3-diethoxyphosphoryl-3-phenylpropyl)-N-phenylmethoxyformamide.

Molecular Properties

Compound NameN-(3-diethoxyphosphoryl-3-phenylpropyl)-N-phenylmethoxyformamide
PubChem CID11315702
Molecular FormulaC21H28NO5P
Molecular Weight405.43 g/mol
Exact Mass405.17
IUPAC NameN-(3-diethoxyphosphoryl-3-phenylpropyl)-N-phenylmethoxyformamide
SMILESCCOP(=O)(OCC)C(CCN(C=O)OCc1ccccc1)c1ccccc1
InChIInChI=1S/C21H28NO5P/c1-3-26-28(24,27-4-2)21(20-13-9-6-10-14-20)15-16-22(18-23)25-17-19-11-7-5-8-12-19/h5-14,18,21H,3-4,15-17H2,1-2H3
InChIKeyAOHNMUPDHMQYKD-UHFFFAOYSA-N
XLogP4.97
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds13
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.43
LogP ≤ 54.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

[4-[formyl(phenylmethoxy)amino]-2-methyl-1-phosphonobutyl]phosphonic acid
CID 90923448
[(1R)-1-diethoxyphosphorylheptyl]benzene
CID 166637247
N-pentyl-N-phenylmethoxyformamide
CID 88956477
4-[formyl(phenylmethoxy)amino]-2-hydroxybutanoic acid
CID 21475226
N-(3-diethoxyphosphoryl-3-thiophen-2-ylpropyl)-N-phenylmethoxyacetamide
CID 16664922
2-diethoxyphosphoryl-2-phenylethanamine
CID 14418072
N-(4-hydroxybutyl)-N-phenylmethoxyformamide
CID 87139283
(1R,2R)-2-diethoxyphosphoryl-1-phenyl-2-phenylmethoxyethanol
CID 102333800
bis(diethoxyphosphoryl)methylbenzene
CID 11132243
[(1R)-1-diethoxyphosphoryl-2-nitroethyl]benzene
CID 7031986
N-(8-hydroxyoctyl)-N-phenylmethoxyformamide
CID 57042155
sodium [(3R,4R,5S)-1,1-difluoro-6-[formyl(phenylmethoxy)amino]-3,4,5-trihydroxyhexyl]-ethoxyphosphinate
CID 131744078

Frequently Asked Questions

What is the IUPAC name of N-(3-diethoxyphosphoryl-3-phenylpropyl)-N-phenylmethoxyformamide?
The IUPAC name of N-(3-diethoxyphosphoryl-3-phenylpropyl)-N-phenylmethoxyformamide (CID 11315702) is N-(3-diethoxyphosphoryl-3-phenylpropyl)-N-phenylmethoxyformamide.
What is the SMILES notation for N-(3-diethoxyphosphoryl-3-phenylpropyl)-N-phenylmethoxyformamide?
The canonical SMILES for N-(3-diethoxyphosphoryl-3-phenylpropyl)-N-phenylmethoxyformamide is CCOP(=O)(OCC)C(CCN(C=O)OCc1ccccc1)c1ccccc1.
What is the InChIKey of N-(3-diethoxyphosphoryl-3-phenylpropyl)-N-phenylmethoxyformamide?
The InChIKey is AOHNMUPDHMQYKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28NO5P/c1-3-26-28(24,27-4-2)21(20-13-9-6-10-14-20)15-16-22(18-23)25-17-19-11-7-5-8-12-19/h5-14,18,21H,3-4,15-17H2,1-2H3.
What are the key properties of N-(3-diethoxyphosphoryl-3-phenylpropyl)-N-phenylmethoxyformamide?
N-(3-diethoxyphosphoryl-3-phenylpropyl)-N-phenylmethoxyformamide has a molecular weight of 405.43 g/mol, XLogP of 4.97, 13 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-diethoxyphosphoryl-3-phenylpropyl)-N-phenylmethoxyformamide is sourced from PubChem (CID 11315702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).