4-[(4-ethoxyanilino)methyl]-N-methyl-N-phenylbenzamide

C23H24N2O2 — CID 122195977

IUPAC4-[(4-ethoxyanilino)methyl]-N-methyl-N-phenylbenzamide
SMILESCCOc1ccc(NCc2ccc(C(=O)N(C)c3ccccc3)cc2)cc1
InChIInChI=1S/C23H24N2O2/c1-3-27-22-15-13-20(14-16-22)24-17-18-9-11-19(12-10-18)23(26)25(2)21-7-5-4-6-8-21/h4-16,24H,3,17H2,1-2H3
InChIKeyILFDNNIRTMBPKD-UHFFFAOYSA-N
MW360.46 g/mol
LogP4.97
Rot. Bonds7

About 4-[(4-ethoxyanilino)methyl]-N-methyl-N-phenylbenzamide

4-[(4-ethoxyanilino)methyl]-N-methyl-N-phenylbenzamide (PubChem CID 122195977) has the molecular formula C23H24N2O2 and a molecular weight of 360.46 g/mol. Its IUPAC name is 4-[(4-ethoxyanilino)methyl]-N-methyl-N-phenylbenzamide.

Molecular Properties

Compound Name4-[(4-ethoxyanilino)methyl]-N-methyl-N-phenylbenzamide
PubChem CID122195977
Molecular FormulaC23H24N2O2
Molecular Weight360.46 g/mol
Exact Mass360.18
IUPAC Name4-[(4-ethoxyanilino)methyl]-N-methyl-N-phenylbenzamide
SMILESCCOc1ccc(NCc2ccc(C(=O)N(C)c3ccccc3)cc2)cc1
InChIInChI=1S/C23H24N2O2/c1-3-27-22-15-13-20(14-16-22)24-17-18-9-11-19(12-10-18)23(26)25(2)21-7-5-4-6-8-21/h4-16,24H,3,17H2,1-2H3
InChIKeyILFDNNIRTMBPKD-UHFFFAOYSA-N
XLogP4.97
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.46
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

4-[[2-(4-ethylphenoxy)acetyl]amino]-N-methyl-N-phenylbenzamide
CID 17230188
N-methyl-4-[[2-(N-methylanilino)-2-oxoethyl]amino]-N-phenylbenzamide
CID 54838219
4-[(4-methoxyphenoxy)methyl]-N-methyl-N-phenylbenzamide
CID 122195803
2-[4-[(4-ethoxyphenyl)methylamino]-N-methylanilino]sulfanyloxyacetic acid
CID 146385262
1-[4-[(4-ethoxyanilino)methyl]phenyl]ethanone;sulfuryl dichloride
CID 175521393
4-[[2-(4-methoxyphenoxy)acetyl]amino]-N-methyl-N-phenylbenzamide
CID 17230196
4-[[4-(2-ethoxyethoxy)benzoyl]amino]-N-methyl-N-phenylbenzamide
CID 17230295
4-[(4-ethoxyanilino)methyl]phenol
CID 3271066
N-[(4-ethoxyphenyl)methyl]-N-methyl-4-(phenylcarbamoylamino)benzamide
CID 55370905
4-ethoxy-N-ethyl-N-phenylbenzamide
CID 721190
N-methyl-N-phenyl-4-propylbenzamide
CID 47719630
1-N-benzyl-4-N-(4-ethoxyphenyl)benzene-1,4-dicarboxamide
CID 109046738

Frequently Asked Questions

What is the IUPAC name of 4-[(4-ethoxyanilino)methyl]-N-methyl-N-phenylbenzamide?
The IUPAC name of 4-[(4-ethoxyanilino)methyl]-N-methyl-N-phenylbenzamide (CID 122195977) is 4-[(4-ethoxyanilino)methyl]-N-methyl-N-phenylbenzamide.
What is the SMILES notation for 4-[(4-ethoxyanilino)methyl]-N-methyl-N-phenylbenzamide?
The canonical SMILES for 4-[(4-ethoxyanilino)methyl]-N-methyl-N-phenylbenzamide is CCOc1ccc(NCc2ccc(C(=O)N(C)c3ccccc3)cc2)cc1.
What is the InChIKey of 4-[(4-ethoxyanilino)methyl]-N-methyl-N-phenylbenzamide?
The InChIKey is ILFDNNIRTMBPKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O2/c1-3-27-22-15-13-20(14-16-22)24-17-18-9-11-19(12-10-18)23(26)25(2)21-7-5-4-6-8-21/h4-16,24H,3,17H2,1-2H3.
What are the key properties of 4-[(4-ethoxyanilino)methyl]-N-methyl-N-phenylbenzamide?
4-[(4-ethoxyanilino)methyl]-N-methyl-N-phenylbenzamide has a molecular weight of 360.46 g/mol, XLogP of 4.97, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-ethoxyanilino)methyl]-N-methyl-N-phenylbenzamide is sourced from PubChem (CID 122195977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).