(Z)-3-(diphenylphosphorylamino)-3-(4-methylphenyl)prop-2-enamide

C22H21N2O2P — CID 134934649

IUPAC(Z)-3-(diphenylphosphorylamino)-3-(4-methylphenyl)prop-2-enamide
SMILESCc1ccc(/C(=C/C(N)=O)NP(=O)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C22H21N2O2P/c1-17-12-14-18(15-13-17)21(16-22(23)25)24-27(26,19-8-4-2-5-9-19)20-10-6-3-7-11-20/h2-16H,1H3,(H2,23,25)(H,24,26)/b21-16-
InChIKeyPSFXONPYHZDXIC-PGMHBOJBSA-N
MW376.40 g/mol
LogP3.34
Rot. Bonds6

About (Z)-3-(diphenylphosphorylamino)-3-(4-methylphenyl)prop-2-enamide

(Z)-3-(diphenylphosphorylamino)-3-(4-methylphenyl)prop-2-enamide (PubChem CID 134934649) has the molecular formula C22H21N2O2P and a molecular weight of 376.40 g/mol. Its IUPAC name is (Z)-3-(diphenylphosphorylamino)-3-(4-methylphenyl)prop-2-enamide.

Molecular Properties

Compound Name(Z)-3-(diphenylphosphorylamino)-3-(4-methylphenyl)prop-2-enamide
PubChem CID134934649
Molecular FormulaC22H21N2O2P
Molecular Weight376.40 g/mol
Exact Mass376.13
IUPAC Name(Z)-3-(diphenylphosphorylamino)-3-(4-methylphenyl)prop-2-enamide
SMILESCc1ccc(/C(=C/C(N)=O)NP(=O)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C22H21N2O2P/c1-17-12-14-18(15-13-17)21(16-22(23)25)24-27(26,19-8-4-2-5-9-19)20-10-6-3-7-11-20/h2-16H,1H3,(H2,23,25)(H,24,26)/b21-16-
InChIKeyPSFXONPYHZDXIC-PGMHBOJBSA-N
XLogP3.34
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.40
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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

(Z)-3-amino-3-(4-methylphenyl)-1-phenylprop-2-en-1-one
CID 5376861
(E)-3-amino-3-(4-methylphenyl)-1-phenylprop-2-en-1-one
CID 21160961
ethyl (E)-2-(diphenylphosphorylamino)but-2-enoate
CID 12904300
2-(diphenylphosphorylamino)-2-(4-methylphenyl)-1-phenylethanone
CID 101360122
(E)-3-anilino-1-(4-methylphenyl)-3-phenylprop-2-en-1-one
CID 22305442
1-(4-diphenylphosphorylphenyl)-4-methylbenzene
CID 11233983
(Z)-3-(2-aminoethylamino)-3-(4-methylphenyl)-1-phenylprop-2-en-1-one
CID 54579039
4-methyl-N-(triphenyl-λ5-phosphanylidene)benzamide
CID 13438783
N-[[(Z)-2-amino-2-(4-methylphenyl)ethenyl]-diphenyl-lambda5-phosphanylidene]benzamide
CID 14322803
N-(2,2-dichloro-1-diphenylphosphorylethenyl)-4-methylbenzamide
CID 3090259
N,4-dimethylbenzamide;ethane;toluene
CID 143677670
benzoic acid;4-methylbenzoic acid
CID 71272637

Frequently Asked Questions

What is the IUPAC name of (Z)-3-(diphenylphosphorylamino)-3-(4-methylphenyl)prop-2-enamide?
The IUPAC name of (Z)-3-(diphenylphosphorylamino)-3-(4-methylphenyl)prop-2-enamide (CID 134934649) is (Z)-3-(diphenylphosphorylamino)-3-(4-methylphenyl)prop-2-enamide.
What is the SMILES notation for (Z)-3-(diphenylphosphorylamino)-3-(4-methylphenyl)prop-2-enamide?
The canonical SMILES for (Z)-3-(diphenylphosphorylamino)-3-(4-methylphenyl)prop-2-enamide is Cc1ccc(/C(=C/C(N)=O)NP(=O)(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of (Z)-3-(diphenylphosphorylamino)-3-(4-methylphenyl)prop-2-enamide?
The InChIKey is PSFXONPYHZDXIC-PGMHBOJBSA-N. The full InChI is InChI=1S/C22H21N2O2P/c1-17-12-14-18(15-13-17)21(16-22(23)25)24-27(26,19-8-4-2-5-9-19)20-10-6-3-7-11-20/h2-16H,1H3,(H2,23,25)(H,24,26)/b21-16-.
What are the key properties of (Z)-3-(diphenylphosphorylamino)-3-(4-methylphenyl)prop-2-enamide?
(Z)-3-(diphenylphosphorylamino)-3-(4-methylphenyl)prop-2-enamide has a molecular weight of 376.40 g/mol, XLogP of 3.34, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-(diphenylphosphorylamino)-3-(4-methylphenyl)prop-2-enamide is sourced from PubChem (CID 134934649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).