N-[(Z)-1-diphenylphosphorylprop-1-en-2-yl]-4-methylaniline

C22H22NOP — CID 11782978

IUPACN-[(Z)-1-diphenylphosphorylprop-1-en-2-yl]-4-methylaniline
SMILESC/C(=C/P(=O)(c1ccccc1)c1ccccc1)Nc1ccc(C)cc1
InChIInChI=1S/C22H22NOP/c1-18-13-15-20(16-14-18)23-19(2)17-25(24,21-9-5-3-6-10-21)22-11-7-4-8-12-22/h3-17,23H,1-2H3/b19-17-
InChIKeyONETWOSVLLLOPD-ZPHPHTNESA-N
MW347.40 g/mol
LogP5.28
Rot. Bonds5

About N-[(Z)-1-diphenylphosphorylprop-1-en-2-yl]-4-methylaniline

N-[(Z)-1-diphenylphosphorylprop-1-en-2-yl]-4-methylaniline (PubChem CID 11782978) has the molecular formula C22H22NOP and a molecular weight of 347.40 g/mol. Its IUPAC name is N-[(Z)-1-diphenylphosphorylprop-1-en-2-yl]-4-methylaniline.

Molecular Properties

Compound NameN-[(Z)-1-diphenylphosphorylprop-1-en-2-yl]-4-methylaniline
PubChem CID11782978
Molecular FormulaC22H22NOP
Molecular Weight347.40 g/mol
Exact Mass347.14
IUPAC NameN-[(Z)-1-diphenylphosphorylprop-1-en-2-yl]-4-methylaniline
SMILESC/C(=C/P(=O)(c1ccccc1)c1ccccc1)Nc1ccc(C)cc1
InChIInChI=1S/C22H22NOP/c1-18-13-15-20(16-14-18)23-19(2)17-25(24,21-9-5-3-6-10-21)22-11-7-4-8-12-22/h3-17,23H,1-2H3/b19-17-
InChIKeyONETWOSVLLLOPD-ZPHPHTNESA-N
XLogP5.28
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500347.40
LogP ≤ 55.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-anilino-N-(4-methylphenyl)but-2-enethioamide
CID 71350568
(E)-3-(4-methylanilino)-N-phenylbut-2-enethioamide
CID 171977784
N-(4-methylphenyl)acetamide
CID 7684
[(E)-1-diphenylphosphorylprop-1-en-2-yl]-diphenyl-sulfanylidene-λ5-phosphane
CID 54762904
[[(1E)-2,5-dimethylhexa-1,5-dien-3-ynyl]-phenylphosphoryl]benzene
CID 11055886
N-phenylacetamide;toluene
CID 175205531
(3Z)-N-(4-methylphenyl)-3-[(2-phenylacetyl)hydrazinylidene]butanamide
CID 6386610
4-[(4-methylphenyl)carbamoylamino]-N-phenylbenzamide
CID 143832330
2-hydroxy-N-(4-methylphenyl)-2-phenylacetamide
CID 3709657
1-(4-diphenylphosphorylphenyl)-4-methylbenzene
CID 11233983
phenylphosphonic acid;toluene
CID 174457204
methanamine;N-(4-methylphenyl)acetamide
CID 142152295

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-1-diphenylphosphorylprop-1-en-2-yl]-4-methylaniline?
The IUPAC name of N-[(Z)-1-diphenylphosphorylprop-1-en-2-yl]-4-methylaniline (CID 11782978) is N-[(Z)-1-diphenylphosphorylprop-1-en-2-yl]-4-methylaniline.
What is the SMILES notation for N-[(Z)-1-diphenylphosphorylprop-1-en-2-yl]-4-methylaniline?
The canonical SMILES for N-[(Z)-1-diphenylphosphorylprop-1-en-2-yl]-4-methylaniline is C/C(=C/P(=O)(c1ccccc1)c1ccccc1)Nc1ccc(C)cc1.
What is the InChIKey of N-[(Z)-1-diphenylphosphorylprop-1-en-2-yl]-4-methylaniline?
The InChIKey is ONETWOSVLLLOPD-ZPHPHTNESA-N. The full InChI is InChI=1S/C22H22NOP/c1-18-13-15-20(16-14-18)23-19(2)17-25(24,21-9-5-3-6-10-21)22-11-7-4-8-12-22/h3-17,23H,1-2H3/b19-17-.
What are the key properties of N-[(Z)-1-diphenylphosphorylprop-1-en-2-yl]-4-methylaniline?
N-[(Z)-1-diphenylphosphorylprop-1-en-2-yl]-4-methylaniline has a molecular weight of 347.40 g/mol, XLogP of 5.28, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-1-diphenylphosphorylprop-1-en-2-yl]-4-methylaniline is sourced from PubChem (CID 11782978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).