N-[(Z)-1-diethoxyphosphoryl-3-morpholin-4-yl-3-oxo-1-phenylprop-1-en-2-yl]benzamide

C24H29N2O6P — CID 6104632

IUPACN-[(Z)-1-diethoxyphosphoryl-3-morpholin-4-yl-3-oxo-1-phenylprop-1-en-2-yl]benzamide
SMILESCCOP(=O)(OCC)/C(=C(\NC(=O)c1ccccc1)C(=O)N1CCOCC1)c1ccccc1
InChIInChI=1S/C24H29N2O6P/c1-3-31-33(29,32-4-2)22(19-11-7-5-8-12-19)21(24(28)26-15-17-30-18-16-26)25-23(27)20-13-9-6-10-14-20/h5-14H,3-4,15-18H2,1-2H3,(H,25,27)/b22-21-
InChIKeyRZLZZHYOKRYADJ-DQRAZIAOSA-N
MW472.48 g/mol
LogP3.91
Rot. Bonds9

About N-[(Z)-1-diethoxyphosphoryl-3-morpholin-4-yl-3-oxo-1-phenylprop-1-en-2-yl]benzamide

N-[(Z)-1-diethoxyphosphoryl-3-morpholin-4-yl-3-oxo-1-phenylprop-1-en-2-yl]benzamide (PubChem CID 6104632) has the molecular formula C24H29N2O6P and a molecular weight of 472.48 g/mol. Its IUPAC name is N-[(Z)-1-diethoxyphosphoryl-3-morpholin-4-yl-3-oxo-1-phenylprop-1-en-2-yl]benzamide.

Molecular Properties

Compound NameN-[(Z)-1-diethoxyphosphoryl-3-morpholin-4-yl-3-oxo-1-phenylprop-1-en-2-yl]benzamide
PubChem CID6104632
Molecular FormulaC24H29N2O6P
Molecular Weight472.48 g/mol
Exact Mass472.18
IUPAC NameN-[(Z)-1-diethoxyphosphoryl-3-morpholin-4-yl-3-oxo-1-phenylprop-1-en-2-yl]benzamide
SMILESCCOP(=O)(OCC)/C(=C(\NC(=O)c1ccccc1)C(=O)N1CCOCC1)c1ccccc1
InChIInChI=1S/C24H29N2O6P/c1-3-31-33(29,32-4-2)22(19-11-7-5-8-12-19)21(24(28)26-15-17-30-18-16-26)25-23(27)20-13-9-6-10-14-20/h5-14H,3-4,15-18H2,1-2H3,(H,25,27)/b22-21-
InChIKeyRZLZZHYOKRYADJ-DQRAZIAOSA-N
XLogP3.91
TPSA94.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.48
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

N-[(Z)-1-diethoxyphosphoryl-3-oxo-1-phenyl-3-(pyrimidin-2-ylamino)prop-1-en-2-yl]benzamide
CID 2308943
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CID 2829765
(Z)-2-diethoxyphosphoryl-1-ethoxy-2-phenylethenol
CID 134873610
(E)-2-benzamido-3-[ethoxy(phenyl)phosphoryl]-3-phenylprop-2-enoic acid
CID 11863428
(Z)-2-benzamido-3-[ethoxy(phenyl)phosphoryl]-3-phenylprop-2-enoic acid
CID 2053046
N-[(E)-3-morpholin-4-yl-3-oxo-1-phenyl-1-pyridin-2-ylsulfanylprop-1-en-2-yl]benzamide
CID 1097555
N-(1-morpholin-4-yl-1-oxo-5-phenylpenta-2,4-dien-2-yl)benzamide
CID 3118289
N-[(Z)-1-(1,3-benzoxazol-2-ylsulfanyl)-3-morpholin-4-yl-3-oxo-1-phenylprop-1-en-2-yl]benzamide
CID 1047012
N-[(Z)-3-morpholin-4-yl-3-oxo-1-pyridin-4-ylprop-1-en-2-yl]benzamide
CID 6531421
4-butoxy-N-(1-morpholin-4-yl-1-oxo-5-phenylpenta-2,4-dien-2-yl)benzamide
CID 2907636
(2Z)-1-morpholin-4-yl-2-(1-phenylethylidene)butane-1,3-dione
CID 11380289
N-[(Z)-1-(5-iodofuran-2-yl)-3-morpholin-4-yl-3-oxoprop-1-en-2-yl]benzamide
CID 19057172

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-1-diethoxyphosphoryl-3-morpholin-4-yl-3-oxo-1-phenylprop-1-en-2-yl]benzamide?
The IUPAC name of N-[(Z)-1-diethoxyphosphoryl-3-morpholin-4-yl-3-oxo-1-phenylprop-1-en-2-yl]benzamide (CID 6104632) is N-[(Z)-1-diethoxyphosphoryl-3-morpholin-4-yl-3-oxo-1-phenylprop-1-en-2-yl]benzamide.
What is the SMILES notation for N-[(Z)-1-diethoxyphosphoryl-3-morpholin-4-yl-3-oxo-1-phenylprop-1-en-2-yl]benzamide?
The canonical SMILES for N-[(Z)-1-diethoxyphosphoryl-3-morpholin-4-yl-3-oxo-1-phenylprop-1-en-2-yl]benzamide is CCOP(=O)(OCC)/C(=C(\NC(=O)c1ccccc1)C(=O)N1CCOCC1)c1ccccc1.
What is the InChIKey of N-[(Z)-1-diethoxyphosphoryl-3-morpholin-4-yl-3-oxo-1-phenylprop-1-en-2-yl]benzamide?
The InChIKey is RZLZZHYOKRYADJ-DQRAZIAOSA-N. The full InChI is InChI=1S/C24H29N2O6P/c1-3-31-33(29,32-4-2)22(19-11-7-5-8-12-19)21(24(28)26-15-17-30-18-16-26)25-23(27)20-13-9-6-10-14-20/h5-14H,3-4,15-18H2,1-2H3,(H,25,27)/b22-21-.
What are the key properties of N-[(Z)-1-diethoxyphosphoryl-3-morpholin-4-yl-3-oxo-1-phenylprop-1-en-2-yl]benzamide?
N-[(Z)-1-diethoxyphosphoryl-3-morpholin-4-yl-3-oxo-1-phenylprop-1-en-2-yl]benzamide has a molecular weight of 472.48 g/mol, XLogP of 3.91, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-1-diethoxyphosphoryl-3-morpholin-4-yl-3-oxo-1-phenylprop-1-en-2-yl]benzamide is sourced from PubChem (CID 6104632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).