4-[(Z)-3-[acetyl(phenylmethoxy)amino]-1-diethoxyphosphorylprop-1-enyl]benzamide

C23H29N2O6P — CID 16664685

IUPAC4-[(Z)-3-[acetyl(phenylmethoxy)amino]-1-diethoxyphosphorylprop-1-enyl]benzamide
SMILESCCOP(=O)(OCC)/C(=C\CN(OCc1ccccc1)C(C)=O)c1ccc(C(N)=O)cc1
InChIInChI=1S/C23H29N2O6P/c1-4-30-32(28,31-5-2)22(20-11-13-21(14-12-20)23(24)27)15-16-25(18(3)26)29-17-19-9-7-6-8-10-19/h6-15H,4-5,16-17H2,1-3H3,(H2,24,27)/b22-15-
InChIKeyDBHBDVJZNCKRRD-JCMHNJIXSA-N
MW460.47 g/mol
LogP4.37
Rot. Bonds12

About 4-[(Z)-3-[acetyl(phenylmethoxy)amino]-1-diethoxyphosphorylprop-1-enyl]benzamide

4-[(Z)-3-[acetyl(phenylmethoxy)amino]-1-diethoxyphosphorylprop-1-enyl]benzamide (PubChem CID 16664685) has the molecular formula C23H29N2O6P and a molecular weight of 460.47 g/mol. Its IUPAC name is 4-[(Z)-3-[acetyl(phenylmethoxy)amino]-1-diethoxyphosphorylprop-1-enyl]benzamide.

Molecular Properties

Compound Name4-[(Z)-3-[acetyl(phenylmethoxy)amino]-1-diethoxyphosphorylprop-1-enyl]benzamide
PubChem CID16664685
Molecular FormulaC23H29N2O6P
Molecular Weight460.47 g/mol
Exact Mass460.18
IUPAC Name4-[(Z)-3-[acetyl(phenylmethoxy)amino]-1-diethoxyphosphorylprop-1-enyl]benzamide
SMILESCCOP(=O)(OCC)/C(=C\CN(OCc1ccccc1)C(C)=O)c1ccc(C(N)=O)cc1
InChIInChI=1S/C23H29N2O6P/c1-4-30-32(28,31-5-2)22(20-11-13-21(14-12-20)23(24)27)15-16-25(18(3)26)29-17-19-9-7-6-8-10-19/h6-15H,4-5,16-17H2,1-3H3,(H2,24,27)/b22-15-
InChIKeyDBHBDVJZNCKRRD-JCMHNJIXSA-N
XLogP4.37
TPSA108.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.47
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

[(Z)-1-diethoxyphosphorylprop-1-enyl]benzene
CID 15103917
N-(3-oxopropyl)-N-phenylmethoxyacetamide
CID 71545702
N-(3-diethoxyphosphoryl-3-thiophen-2-ylpropyl)-N-phenylmethoxyacetamide
CID 16664922
N-phenylmethoxyacetohydrazide
CID 174450270
1-bis(phenylmethoxy)phosphorylethanone
CID 12524609
(E)-1-bis(phenylmethoxy)phosphorylbut-2-en-1-one
CID 11566124
3-[acetyl(phenylmethoxy)amino]propanoic acid
CID 10060062
ethyl N-(2-phenylethyl)-N-phenylmethoxycarbamate
CID 125470333
1-benzyl-1-phenylmethoxyurea
CID 22444379
N-hydroxy-N-phenylmethoxyacetamide
CID 173249339
[[acetyl(phenylmethoxy)amino]-phenylmethyl]-methylphosphinic acid
CID 15719300
bis[(4-carbamoylphenyl)-[formyl(phenylmethoxy)amino]methoxy]-oxophosphanium
CID 118309538

Frequently Asked Questions

What is the IUPAC name of 4-[(Z)-3-[acetyl(phenylmethoxy)amino]-1-diethoxyphosphorylprop-1-enyl]benzamide?
The IUPAC name of 4-[(Z)-3-[acetyl(phenylmethoxy)amino]-1-diethoxyphosphorylprop-1-enyl]benzamide (CID 16664685) is 4-[(Z)-3-[acetyl(phenylmethoxy)amino]-1-diethoxyphosphorylprop-1-enyl]benzamide.
What is the SMILES notation for 4-[(Z)-3-[acetyl(phenylmethoxy)amino]-1-diethoxyphosphorylprop-1-enyl]benzamide?
The canonical SMILES for 4-[(Z)-3-[acetyl(phenylmethoxy)amino]-1-diethoxyphosphorylprop-1-enyl]benzamide is CCOP(=O)(OCC)/C(=C\CN(OCc1ccccc1)C(C)=O)c1ccc(C(N)=O)cc1.
What is the InChIKey of 4-[(Z)-3-[acetyl(phenylmethoxy)amino]-1-diethoxyphosphorylprop-1-enyl]benzamide?
The InChIKey is DBHBDVJZNCKRRD-JCMHNJIXSA-N. The full InChI is InChI=1S/C23H29N2O6P/c1-4-30-32(28,31-5-2)22(20-11-13-21(14-12-20)23(24)27)15-16-25(18(3)26)29-17-19-9-7-6-8-10-19/h6-15H,4-5,16-17H2,1-3H3,(H2,24,27)/b22-15-.
What are the key properties of 4-[(Z)-3-[acetyl(phenylmethoxy)amino]-1-diethoxyphosphorylprop-1-enyl]benzamide?
4-[(Z)-3-[acetyl(phenylmethoxy)amino]-1-diethoxyphosphorylprop-1-enyl]benzamide has a molecular weight of 460.47 g/mol, XLogP of 4.37, 12 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(Z)-3-[acetyl(phenylmethoxy)amino]-1-diethoxyphosphorylprop-1-enyl]benzamide is sourced from PubChem (CID 16664685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).