3-benzamido-N,4-dimethyl-N-[(4-prop-2-enoxyphenyl)methyl]benzamide

C26H26N2O3 — CID 46410979

IUPAC3-benzamido-N,4-dimethyl-N-[(4-prop-2-enoxyphenyl)methyl]benzamide
SMILESC=CCOc1ccc(CN(C)C(=O)c2ccc(C)c(NC(=O)c3ccccc3)c2)cc1
InChIInChI=1S/C26H26N2O3/c1-4-16-31-23-14-11-20(12-15-23)18-28(3)26(30)22-13-10-19(2)24(17-22)27-25(29)21-8-6-5-7-9-21/h4-15,17H,1,16,18H2,2-3H3,(H,27,29)
InChIKeyKMLXAILHVJVLMV-UHFFFAOYSA-N
MW414.51 g/mol
LogP5.08
Rot. Bonds8

About 3-benzamido-N,4-dimethyl-N-[(4-prop-2-enoxyphenyl)methyl]benzamide

3-benzamido-N,4-dimethyl-N-[(4-prop-2-enoxyphenyl)methyl]benzamide (PubChem CID 46410979) has the molecular formula C26H26N2O3 and a molecular weight of 414.51 g/mol. Its IUPAC name is 3-benzamido-N,4-dimethyl-N-[(4-prop-2-enoxyphenyl)methyl]benzamide.

Molecular Properties

Compound Name3-benzamido-N,4-dimethyl-N-[(4-prop-2-enoxyphenyl)methyl]benzamide
PubChem CID46410979
Molecular FormulaC26H26N2O3
Molecular Weight414.51 g/mol
Exact Mass414.19
IUPAC Name3-benzamido-N,4-dimethyl-N-[(4-prop-2-enoxyphenyl)methyl]benzamide
SMILESC=CCOc1ccc(CN(C)C(=O)c2ccc(C)c(NC(=O)c3ccccc3)c2)cc1
InChIInChI=1S/C26H26N2O3/c1-4-16-31-23-14-11-20(12-15-23)18-28(3)26(30)22-13-10-19(2)24(17-22)27-25(29)21-8-6-5-7-9-21/h4-15,17H,1,16,18H2,2-3H3,(H,27,29)
InChIKeyKMLXAILHVJVLMV-UHFFFAOYSA-N
XLogP5.08
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.51
LogP ≤ 55.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-benzamido-N,4-dimethyl-N-[(4-methylphenyl)methyl]benzamide
CID 46409799
3-benzamido-N-[(4-bromophenyl)methyl]-N,4-dimethylbenzamide
CID 55630306
N-(5-acetamido-2-methylphenyl)-4-prop-2-enoxybenzamide
CID 46463696
4-N-benzyl-4-N-methyl-1-N-(2-methylphenyl)benzene-1,4-dicarboxamide
CID 109047105
3-benzamido-N,4-dimethyl-N-[2-(2-methylphenoxy)ethyl]benzamide
CID 46409789
N-(2-methyl-5-nitrophenyl)-4-prop-2-enoxybenzamide
CID 2993485
4-bromo-3,5-dimethoxy-N-methyl-N-[(4-prop-2-enoxyphenyl)methyl]benzamide
CID 9090762
2-hydroxy-N-methyl-N-[(4-prop-2-enoxyphenyl)methyl]benzamide
CID 31180128
N-(3,4-dimethylphenyl)-4-prop-2-enoxybenzamide
CID 4778952
N-benzyl-3-methoxy-N-methyl-4-prop-2-enoxybenzamide
CID 134016517
N-[(2S,3S)-3-methyl-1-[methyl-[(4-prop-2-enoxyphenyl)methyl]amino]-1-oxopentan-2-yl]benzamide
CID 24544774
N-methyl-N-[(4-prop-2-enoxyphenyl)methyl]-3-(prop-2-ynylsulfamoyl)benzamide
CID 38551386

Frequently Asked Questions

What is the IUPAC name of 3-benzamido-N,4-dimethyl-N-[(4-prop-2-enoxyphenyl)methyl]benzamide?
The IUPAC name of 3-benzamido-N,4-dimethyl-N-[(4-prop-2-enoxyphenyl)methyl]benzamide (CID 46410979) is 3-benzamido-N,4-dimethyl-N-[(4-prop-2-enoxyphenyl)methyl]benzamide.
What is the SMILES notation for 3-benzamido-N,4-dimethyl-N-[(4-prop-2-enoxyphenyl)methyl]benzamide?
The canonical SMILES for 3-benzamido-N,4-dimethyl-N-[(4-prop-2-enoxyphenyl)methyl]benzamide is C=CCOc1ccc(CN(C)C(=O)c2ccc(C)c(NC(=O)c3ccccc3)c2)cc1.
What is the InChIKey of 3-benzamido-N,4-dimethyl-N-[(4-prop-2-enoxyphenyl)methyl]benzamide?
The InChIKey is KMLXAILHVJVLMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N2O3/c1-4-16-31-23-14-11-20(12-15-23)18-28(3)26(30)22-13-10-19(2)24(17-22)27-25(29)21-8-6-5-7-9-21/h4-15,17H,1,16,18H2,2-3H3,(H,27,29).
What are the key properties of 3-benzamido-N,4-dimethyl-N-[(4-prop-2-enoxyphenyl)methyl]benzamide?
3-benzamido-N,4-dimethyl-N-[(4-prop-2-enoxyphenyl)methyl]benzamide has a molecular weight of 414.51 g/mol, XLogP of 5.08, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzamido-N,4-dimethyl-N-[(4-prop-2-enoxyphenyl)methyl]benzamide is sourced from PubChem (CID 46410979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).