N-benzyl-N-methyl-2-[3-(4-methylphenyl)prop-2-enoylamino]benzamide

C25H24N2O2 — CID 4937429

IUPACN-benzyl-N-methyl-2-[3-(4-methylphenyl)prop-2-enoylamino]benzamide
SMILESCc1ccc(C=CC(=O)Nc2ccccc2C(=O)N(C)Cc2ccccc2)cc1
InChIInChI=1S/C25H24N2O2/c1-19-12-14-20(15-13-19)16-17-24(28)26-23-11-7-6-10-22(23)25(29)27(2)18-21-8-4-3-5-9-21/h3-17H,18H2,1-2H3,(H,26,28)
InChIKeyVBIAUFZDUMDZFO-UHFFFAOYSA-N
MW384.48 g/mol
LogP4.92
Rot. Bonds6

About N-benzyl-N-methyl-2-[3-(4-methylphenyl)prop-2-enoylamino]benzamide

N-benzyl-N-methyl-2-[3-(4-methylphenyl)prop-2-enoylamino]benzamide (PubChem CID 4937429) has the molecular formula C25H24N2O2 and a molecular weight of 384.48 g/mol. Its IUPAC name is N-benzyl-N-methyl-2-[3-(4-methylphenyl)prop-2-enoylamino]benzamide.

Molecular Properties

Compound NameN-benzyl-N-methyl-2-[3-(4-methylphenyl)prop-2-enoylamino]benzamide
PubChem CID4937429
Molecular FormulaC25H24N2O2
Molecular Weight384.48 g/mol
Exact Mass384.18
IUPAC NameN-benzyl-N-methyl-2-[3-(4-methylphenyl)prop-2-enoylamino]benzamide
SMILESCc1ccc(C=CC(=O)Nc2ccccc2C(=O)N(C)Cc2ccccc2)cc1
InChIInChI=1S/C25H24N2O2/c1-19-12-14-20(15-13-19)16-17-24(28)26-23-11-7-6-10-22(23)25(29)27(2)18-21-8-4-3-5-9-21/h3-17H,18H2,1-2H3,(H,26,28)
InChIKeyVBIAUFZDUMDZFO-UHFFFAOYSA-N
XLogP4.92
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.48
LogP ≤ 54.92
H-Bond Donors ≤ 51
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-N-methyl-2-[[(E)-3-(4-nitrophenyl)prop-2-enoyl]amino]benzamide
CID 17312053
N-benzyl-2-[[(E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]amino]-N-methylbenzamide
CID 6234287
2-[3-(4-methylphenyl)prop-2-enoylamino]benzoic acid
CID 54292145
N-benzyl-2-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]carbamothioylamino]-N-methylbenzamide
CID 6234295
N-[benzyl(methyl)carbamothioyl]-3-(4-methylphenyl)prop-2-enamide
CID 922734
N-[(4-methylphenyl)methyl]-2-[[(E)-3-phenylprop-2-enoyl]amino]benzamide
CID 17320578
N-benzyl-N-methyl-2-(2-methylpropanoylamino)benzamide
CID 30336748
N-benzyl-2-[3-(4-methylphenyl)prop-2-enoylcarbamothioylamino]benzamide
CID 4930656
N-benzyl-N-methyl-2-(3-naphthalen-1-ylprop-2-enoylcarbamothioylamino)benzamide
CID 4937556
N-[(2R)-butan-2-yl]-2-[[(E)-3-(4-methylphenyl)prop-2-enoyl]amino]benzamide
CID 34735632
ethyl (E)-4-[[2-[benzyl(methyl)carbamoyl]phenyl]carbamothioylamino]-4-oxobut-2-enoate
CID 6234302
N-benzyl-N-methyl-2-[3-[(4-methylphenyl)sulfonylamino]propanoylamino]benzamide
CID 17154235

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-methyl-2-[3-(4-methylphenyl)prop-2-enoylamino]benzamide?
The IUPAC name of N-benzyl-N-methyl-2-[3-(4-methylphenyl)prop-2-enoylamino]benzamide (CID 4937429) is N-benzyl-N-methyl-2-[3-(4-methylphenyl)prop-2-enoylamino]benzamide.
What is the SMILES notation for N-benzyl-N-methyl-2-[3-(4-methylphenyl)prop-2-enoylamino]benzamide?
The canonical SMILES for N-benzyl-N-methyl-2-[3-(4-methylphenyl)prop-2-enoylamino]benzamide is Cc1ccc(C=CC(=O)Nc2ccccc2C(=O)N(C)Cc2ccccc2)cc1.
What is the InChIKey of N-benzyl-N-methyl-2-[3-(4-methylphenyl)prop-2-enoylamino]benzamide?
The InChIKey is VBIAUFZDUMDZFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N2O2/c1-19-12-14-20(15-13-19)16-17-24(28)26-23-11-7-6-10-22(23)25(29)27(2)18-21-8-4-3-5-9-21/h3-17H,18H2,1-2H3,(H,26,28).
What are the key properties of N-benzyl-N-methyl-2-[3-(4-methylphenyl)prop-2-enoylamino]benzamide?
N-benzyl-N-methyl-2-[3-(4-methylphenyl)prop-2-enoylamino]benzamide has a molecular weight of 384.48 g/mol, XLogP of 4.92, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-methyl-2-[3-(4-methylphenyl)prop-2-enoylamino]benzamide is sourced from PubChem (CID 4937429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).