(E)-N-benzyl-3-[3-[(2-naphthalen-1-yl-2-phosphorosoacetyl)amino]naphthalen-2-yl]prop-2-enamide

C32H25N2O3P — CID 143085426

IUPAC(E)-N-benzyl-3-[3-[(2-naphthalen-1-yl-2-phosphorosoacetyl)amino]naphthalen-2-yl]prop-2-enamide
SMILESO=PC(C(=O)Nc1cc2ccccc2cc1/C=C/C(=O)NCc1ccccc1)c1cccc2ccccc12
InChIInChI=1S/C32H25N2O3P/c35-30(33-21-22-9-2-1-3-10-22)18-17-26-19-24-12-4-5-13-25(24)20-29(26)34-32(36)31(38-37)28-16-8-14-23-11-6-7-15-27(23)28/h1-20,31H,21H2,(H,33,35)(H,34,36)/b18-17+
InChIKeyWDYZDRCOCMYXDS-ISLYRVAYSA-N
MW516.54 g/mol
LogP7.29
Rot. Bonds8

About (E)-N-benzyl-3-[3-[(2-naphthalen-1-yl-2-phosphorosoacetyl)amino]naphthalen-2-yl]prop-2-enamide

(E)-N-benzyl-3-[3-[(2-naphthalen-1-yl-2-phosphorosoacetyl)amino]naphthalen-2-yl]prop-2-enamide (PubChem CID 143085426) has the molecular formula C32H25N2O3P and a molecular weight of 516.54 g/mol. Its IUPAC name is (E)-N-benzyl-3-[3-[(2-naphthalen-1-yl-2-phosphorosoacetyl)amino]naphthalen-2-yl]prop-2-enamide.

Molecular Properties

Compound Name(E)-N-benzyl-3-[3-[(2-naphthalen-1-yl-2-phosphorosoacetyl)amino]naphthalen-2-yl]prop-2-enamide
PubChem CID143085426
Molecular FormulaC32H25N2O3P
Molecular Weight516.54 g/mol
Exact Mass516.16
IUPAC Name(E)-N-benzyl-3-[3-[(2-naphthalen-1-yl-2-phosphorosoacetyl)amino]naphthalen-2-yl]prop-2-enamide
SMILESO=PC(C(=O)Nc1cc2ccccc2cc1/C=C/C(=O)NCc1ccccc1)c1cccc2ccccc12
InChIInChI=1S/C32H25N2O3P/c35-30(33-21-22-9-2-1-3-10-22)18-17-26-19-24-12-4-5-13-25(24)20-29(26)34-32(36)31(38-37)28-16-8-14-23-11-6-7-15-27(23)28/h1-20,31H,21H2,(H,33,35)(H,34,36)/b18-17+
InChIKeyWDYZDRCOCMYXDS-ISLYRVAYSA-N
XLogP7.29
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500516.54
LogP ≤ 57.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-benzylformamide;N-[3-(methoxymethyl)naphthalen-2-yl]-2-naphthalen-1-yl-2-phosphorosoacetamide
CID 143085381
[2-[[3-(benzylcarbamoyl)naphthalen-2-yl]amino]-1-naphthalen-1-yl-2-oxoethyl]phosphonic acid
CID 66678345
3-naphthalen-1-yl-N-[2-(3-naphthalen-1-ylprop-2-enoylamino)phenyl]prop-2-enamide
CID 4233655
N-benzyl-4-[2-[(Z)-3-naphthalen-1-ylprop-2-enoyl]hydrazinyl]-4-oxobutanamide
CID 92962067
N-[(E)-3-(benzylamino)-3-oxoprop-1-enyl]benzamide
CID 101460565
(2Z,4Z)-N,N'-dibenzylhexa-2,4-dienediamide
CID 102438932
N-benzyl-3-(2-methoxyphenyl)prop-2-enamide
CID 2927846
2-[[(E)-3-naphthalen-1-ylprop-2-enoyl]amino]-N-(2-phenylethyl)benzamide
CID 6233444
3-[[[(E)-3-(4-oxochromen-3-yl)prop-2-enoyl]amino]methyl]benzoic acid
CID 108745448
N-[4-(benzylsulfamoyl)phenyl]-3-naphthalen-1-ylprop-2-enamide
CID 4928932
[2-(benzylamino)-2-oxoethyl]-[(1R)-1-naphthalen-1-ylethyl]azanium
CID 9397161
(Z)-N-benzyl-3-(3,4-dihydroxyphenyl)prop-2-enamide
CID 23275357

Frequently Asked Questions

What is the IUPAC name of (E)-N-benzyl-3-[3-[(2-naphthalen-1-yl-2-phosphorosoacetyl)amino]naphthalen-2-yl]prop-2-enamide?
The IUPAC name of (E)-N-benzyl-3-[3-[(2-naphthalen-1-yl-2-phosphorosoacetyl)amino]naphthalen-2-yl]prop-2-enamide (CID 143085426) is (E)-N-benzyl-3-[3-[(2-naphthalen-1-yl-2-phosphorosoacetyl)amino]naphthalen-2-yl]prop-2-enamide.
What is the SMILES notation for (E)-N-benzyl-3-[3-[(2-naphthalen-1-yl-2-phosphorosoacetyl)amino]naphthalen-2-yl]prop-2-enamide?
The canonical SMILES for (E)-N-benzyl-3-[3-[(2-naphthalen-1-yl-2-phosphorosoacetyl)amino]naphthalen-2-yl]prop-2-enamide is O=PC(C(=O)Nc1cc2ccccc2cc1/C=C/C(=O)NCc1ccccc1)c1cccc2ccccc12.
What is the InChIKey of (E)-N-benzyl-3-[3-[(2-naphthalen-1-yl-2-phosphorosoacetyl)amino]naphthalen-2-yl]prop-2-enamide?
The InChIKey is WDYZDRCOCMYXDS-ISLYRVAYSA-N. The full InChI is InChI=1S/C32H25N2O3P/c35-30(33-21-22-9-2-1-3-10-22)18-17-26-19-24-12-4-5-13-25(24)20-29(26)34-32(36)31(38-37)28-16-8-14-23-11-6-7-15-27(23)28/h1-20,31H,21H2,(H,33,35)(H,34,36)/b18-17+.
What are the key properties of (E)-N-benzyl-3-[3-[(2-naphthalen-1-yl-2-phosphorosoacetyl)amino]naphthalen-2-yl]prop-2-enamide?
(E)-N-benzyl-3-[3-[(2-naphthalen-1-yl-2-phosphorosoacetyl)amino]naphthalen-2-yl]prop-2-enamide has a molecular weight of 516.54 g/mol, XLogP of 7.29, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-benzyl-3-[3-[(2-naphthalen-1-yl-2-phosphorosoacetyl)amino]naphthalen-2-yl]prop-2-enamide is sourced from PubChem (CID 143085426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).