N-[(4-methylphenyl)methyl]-2-[[(E)-3-phenylprop-2-enoyl]amino]benzamide

C24H22N2O2 — CID 17320578

IUPACN-[(4-methylphenyl)methyl]-2-[[(E)-3-phenylprop-2-enoyl]amino]benzamide
SMILESCc1ccc(CNC(=O)c2ccccc2NC(=O)/C=C/c2ccccc2)cc1
InChIInChI=1S/C24H22N2O2/c1-18-11-13-20(14-12-18)17-25-24(28)21-9-5-6-10-22(21)26-23(27)16-15-19-7-3-2-4-8-19/h2-16H,17H2,1H3,(H,25,28)(H,26,27)/b16-15+
InChIKeySWTZQRZMMRZGEA-FOCLMDBBSA-N
MW370.45 g/mol
LogP4.58
Rot. Bonds6

About N-[(4-methylphenyl)methyl]-2-[[(E)-3-phenylprop-2-enoyl]amino]benzamide

N-[(4-methylphenyl)methyl]-2-[[(E)-3-phenylprop-2-enoyl]amino]benzamide (PubChem CID 17320578) has the molecular formula C24H22N2O2 and a molecular weight of 370.45 g/mol. Its IUPAC name is N-[(4-methylphenyl)methyl]-2-[[(E)-3-phenylprop-2-enoyl]amino]benzamide.

Molecular Properties

Compound NameN-[(4-methylphenyl)methyl]-2-[[(E)-3-phenylprop-2-enoyl]amino]benzamide
PubChem CID17320578
Molecular FormulaC24H22N2O2
Molecular Weight370.45 g/mol
Exact Mass370.17
IUPAC NameN-[(4-methylphenyl)methyl]-2-[[(E)-3-phenylprop-2-enoyl]amino]benzamide
SMILESCc1ccc(CNC(=O)c2ccccc2NC(=O)/C=C/c2ccccc2)cc1
InChIInChI=1S/C24H22N2O2/c1-18-11-13-20(14-12-18)17-25-24(28)21-9-5-6-10-22(21)26-23(27)16-15-19-7-3-2-4-8-19/h2-16H,17H2,1H3,(H,25,28)(H,26,27)/b16-15+
InChIKeySWTZQRZMMRZGEA-FOCLMDBBSA-N
XLogP4.58
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.45
LogP ≤ 54.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-benzyl-2-[3-(4-methylphenyl)prop-2-enoylcarbamothioylamino]benzamide
CID 4930656
N-(furan-2-ylmethyl)-2-[3-(4-methylphenyl)prop-2-enoylamino]benzamide
CID 5115759
2-[3-(4-methylphenyl)prop-2-enoylamino]benzoic acid
CID 54292145
N-benzyl-N-methyl-2-[3-(4-methylphenyl)prop-2-enoylamino]benzamide
CID 4937429
2-(methylamino)-N-[(4-methylphenyl)methyl]benzamide
CID 4080899
N-benzyl-2-[[(E)-3-thiophen-2-ylprop-2-enoyl]amino]benzamide
CID 6233590
N-[(2R)-butan-2-yl]-2-[[(E)-3-(4-methylphenyl)prop-2-enoyl]amino]benzamide
CID 34735632
2-[(2,2-dichloroacetyl)amino]-N-[(4-methylphenyl)methyl]benzamide
CID 17319950
N-benzyl-2-[3-(2-nitrophenyl)prop-2-enoylamino]benzamide
CID 3319172
N-benzyl-2-[[(E)-3-(4-fluorophenyl)prop-2-enoyl]carbamothioylamino]benzamide
CID 6233688
N-benzyl-2-[[2-[[(E)-2-(4-methylphenyl)ethenyl]sulfonylamino]acetyl]amino]benzamide
CID 24676587
N-tert-butyl-2-(3-phenylprop-2-enoylamino)benzamide
CID 5153514

Frequently Asked Questions

What is the IUPAC name of N-[(4-methylphenyl)methyl]-2-[[(E)-3-phenylprop-2-enoyl]amino]benzamide?
The IUPAC name of N-[(4-methylphenyl)methyl]-2-[[(E)-3-phenylprop-2-enoyl]amino]benzamide (CID 17320578) is N-[(4-methylphenyl)methyl]-2-[[(E)-3-phenylprop-2-enoyl]amino]benzamide.
What is the SMILES notation for N-[(4-methylphenyl)methyl]-2-[[(E)-3-phenylprop-2-enoyl]amino]benzamide?
The canonical SMILES for N-[(4-methylphenyl)methyl]-2-[[(E)-3-phenylprop-2-enoyl]amino]benzamide is Cc1ccc(CNC(=O)c2ccccc2NC(=O)/C=C/c2ccccc2)cc1.
What is the InChIKey of N-[(4-methylphenyl)methyl]-2-[[(E)-3-phenylprop-2-enoyl]amino]benzamide?
The InChIKey is SWTZQRZMMRZGEA-FOCLMDBBSA-N. The full InChI is InChI=1S/C24H22N2O2/c1-18-11-13-20(14-12-18)17-25-24(28)21-9-5-6-10-22(21)26-23(27)16-15-19-7-3-2-4-8-19/h2-16H,17H2,1H3,(H,25,28)(H,26,27)/b16-15+.
What are the key properties of N-[(4-methylphenyl)methyl]-2-[[(E)-3-phenylprop-2-enoyl]amino]benzamide?
N-[(4-methylphenyl)methyl]-2-[[(E)-3-phenylprop-2-enoyl]amino]benzamide has a molecular weight of 370.45 g/mol, XLogP of 4.58, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methylphenyl)methyl]-2-[[(E)-3-phenylprop-2-enoyl]amino]benzamide is sourced from PubChem (CID 17320578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).