(E)-N-benzyl-3-[(triphenyl-λ5-phosphanylidene)amino]prop-2-enamide

C28H25N2OP — CID 10478171

IUPAC(E)-N-benzyl-3-[(triphenyl-λ5-phosphanylidene)amino]prop-2-enamide
SMILESO=C(/C=C/N=P(c1ccccc1)(c1ccccc1)c1ccccc1)NCc1ccccc1
InChIInChI=1S/C28H25N2OP/c31-28(29-23-24-13-5-1-6-14-24)21-22-30-32(25-15-7-2-8-16-25,26-17-9-3-10-18-26)27-19-11-4-12-20-27/h1-22H,23H2,(H,29,31)/b22-21+
InChIKeyFOZJCRVCHFHYEL-QURGRASLSA-N
MW436.50 g/mol
LogP4.99
Rot. Bonds7

About (E)-N-benzyl-3-[(triphenyl-λ5-phosphanylidene)amino]prop-2-enamide

(E)-N-benzyl-3-[(triphenyl-λ5-phosphanylidene)amino]prop-2-enamide (PubChem CID 10478171) has the molecular formula C28H25N2OP and a molecular weight of 436.50 g/mol. Its IUPAC name is (E)-N-benzyl-3-[(triphenyl-λ5-phosphanylidene)amino]prop-2-enamide.

Molecular Properties

Compound Name(E)-N-benzyl-3-[(triphenyl-λ5-phosphanylidene)amino]prop-2-enamide
PubChem CID10478171
Molecular FormulaC28H25N2OP
Molecular Weight436.50 g/mol
Exact Mass436.17
IUPAC Name(E)-N-benzyl-3-[(triphenyl-λ5-phosphanylidene)amino]prop-2-enamide
SMILESO=C(/C=C/N=P(c1ccccc1)(c1ccccc1)c1ccccc1)NCc1ccccc1
InChIInChI=1S/C28H25N2OP/c31-28(29-23-24-13-5-1-6-14-24)21-22-30-32(25-15-7-2-8-16-25,26-17-9-3-10-18-26)27-19-11-4-12-20-27/h1-22H,23H2,(H,29,31)/b22-21+
InChIKeyFOZJCRVCHFHYEL-QURGRASLSA-N
XLogP4.99
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.50
LogP ≤ 54.99
H-Bond Donors ≤ 51
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

(2Z,4Z)-N,N'-dibenzylhexa-2,4-dienediamide
CID 102438932
(E)-N-benzyl-4-oxopent-2-enamide
CID 131237691
N-[(E)-3-(benzylamino)-3-oxoprop-1-enyl]benzamide
CID 101460565
(2E,4E)-N-benzylhexa-2,4-dienamide
CID 15743128
N-benzyl-2-[4-[2-(benzylamino)-2-oxoethylidene]-1,3-dithietan-2-ylidene]acetamide
CID 12680451
N-benzyl-3-(4-chlorophenyl)prop-2-enamide
CID 682148
(E)-N-benzyl-4-(2,5-dimethylphenyl)-4-oxobut-2-enamide
CID 71654022
(Z)-N-benzyl-3-(3,4-dihydroxyphenyl)prop-2-enamide
CID 23275357
N'-benzyloxamide
CID 561416
(E)-N-benzyl-3-(3,4-dichlorophenyl)prop-2-enamide
CID 898158
N-benzyl-3-(2-methoxyphenyl)prop-2-enamide
CID 2927846
N'-benzyl-N-[(4-fluorophenyl)methyl]-N'-methylbut-2-enediamide
CID 73386163

Frequently Asked Questions

What is the IUPAC name of (E)-N-benzyl-3-[(triphenyl-λ5-phosphanylidene)amino]prop-2-enamide?
The IUPAC name of (E)-N-benzyl-3-[(triphenyl-λ5-phosphanylidene)amino]prop-2-enamide (CID 10478171) is (E)-N-benzyl-3-[(triphenyl-λ5-phosphanylidene)amino]prop-2-enamide.
What is the SMILES notation for (E)-N-benzyl-3-[(triphenyl-λ5-phosphanylidene)amino]prop-2-enamide?
The canonical SMILES for (E)-N-benzyl-3-[(triphenyl-λ5-phosphanylidene)amino]prop-2-enamide is O=C(/C=C/N=P(c1ccccc1)(c1ccccc1)c1ccccc1)NCc1ccccc1.
What is the InChIKey of (E)-N-benzyl-3-[(triphenyl-λ5-phosphanylidene)amino]prop-2-enamide?
The InChIKey is FOZJCRVCHFHYEL-QURGRASLSA-N. The full InChI is InChI=1S/C28H25N2OP/c31-28(29-23-24-13-5-1-6-14-24)21-22-30-32(25-15-7-2-8-16-25,26-17-9-3-10-18-26)27-19-11-4-12-20-27/h1-22H,23H2,(H,29,31)/b22-21+.
What are the key properties of (E)-N-benzyl-3-[(triphenyl-λ5-phosphanylidene)amino]prop-2-enamide?
(E)-N-benzyl-3-[(triphenyl-λ5-phosphanylidene)amino]prop-2-enamide has a molecular weight of 436.50 g/mol, XLogP of 4.99, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-benzyl-3-[(triphenyl-λ5-phosphanylidene)amino]prop-2-enamide is sourced from PubChem (CID 10478171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).