N-[(4-ethoxyphenyl)methyl]-4-ethyl-N-(2-pyridin-2-ylethyl)benzamide

C25H28N2O2 — CID 1057393

IUPACN-[(4-ethoxyphenyl)methyl]-4-ethyl-N-(2-pyridin-2-ylethyl)benzamide
SMILESCCOc1ccc(CN(CCc2ccccn2)C(=O)c2ccc(CC)cc2)cc1
InChIInChI=1S/C25H28N2O2/c1-3-20-8-12-22(13-9-20)25(28)27(18-16-23-7-5-6-17-26-23)19-21-10-14-24(15-11-21)29-4-2/h5-15,17H,3-4,16,18-19H2,1-2H3
InChIKeyYIQBJGQRFXUXKZ-UHFFFAOYSA-N
MW388.51 g/mol
LogP4.93
Rot. Bonds9

About N-[(4-ethoxyphenyl)methyl]-4-ethyl-N-(2-pyridin-2-ylethyl)benzamide

N-[(4-ethoxyphenyl)methyl]-4-ethyl-N-(2-pyridin-2-ylethyl)benzamide (PubChem CID 1057393) has the molecular formula C25H28N2O2 and a molecular weight of 388.51 g/mol. Its IUPAC name is N-[(4-ethoxyphenyl)methyl]-4-ethyl-N-(2-pyridin-2-ylethyl)benzamide.

Molecular Properties

Compound NameN-[(4-ethoxyphenyl)methyl]-4-ethyl-N-(2-pyridin-2-ylethyl)benzamide
PubChem CID1057393
Molecular FormulaC25H28N2O2
Molecular Weight388.51 g/mol
Exact Mass388.22
IUPAC NameN-[(4-ethoxyphenyl)methyl]-4-ethyl-N-(2-pyridin-2-ylethyl)benzamide
SMILESCCOc1ccc(CN(CCc2ccccn2)C(=O)c2ccc(CC)cc2)cc1
InChIInChI=1S/C25H28N2O2/c1-3-20-8-12-22(13-9-20)25(28)27(18-16-23-7-5-6-17-26-23)19-21-10-14-24(15-11-21)29-4-2/h5-15,17H,3-4,16,18-19H2,1-2H3
InChIKeyYIQBJGQRFXUXKZ-UHFFFAOYSA-N
XLogP4.93
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.51
LogP ≤ 54.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-ethoxy-N-methyl-N-(2-pyridin-2-ylethyl)benzamide
CID 56809954
4-(2-methylpropyl)-N-propyl-N-(2-pyridin-2-ylethyl)benzamide
CID 86873559
2-[(4-ethoxybenzoyl)-(2-phenylethyl)amino]acetic acid
CID 119347170
N-methyl-4-phenoxy-N-(2-pyridin-2-ylethyl)benzamide
CID 78796251
4-ethoxy-N-(2-hydroxyphenyl)-N-(pyridin-2-ylmethyl)benzamide
CID 108755953
N-benzyl-N-(2-cyanoethyl)-4-ethoxybenzamide
CID 43911691
4-[(dipropylamino)methyl]-N-ethyl-N-(pyridin-2-ylmethyl)benzamide
CID 50948158
N-[(4-methoxy-3-phenylmethoxyphenyl)methyl]-N-(2-pyridin-2-ylethyl)benzamide
CID 42701819
ethyl 4-[[2-pyridin-2-ylethyl-[[4-(trifluoromethyl)phenyl]methyl]carbamoyl]amino]benzoate
CID 42696075
4-[[(4-methoxyphenyl)methyl-(2-pyridin-2-ylethyl)carbamoyl]amino]butanoic acid
CID 122022550
4-fluoro-N-(2-phenylethyl)-N-(pyridin-2-ylmethyl)benzamide
CID 121084436
N-(2-aminoethyl)-4-ethoxy-N-(2-phenylethyl)benzamide;hydrochloride
CID 120885321

Frequently Asked Questions

What is the IUPAC name of N-[(4-ethoxyphenyl)methyl]-4-ethyl-N-(2-pyridin-2-ylethyl)benzamide?
The IUPAC name of N-[(4-ethoxyphenyl)methyl]-4-ethyl-N-(2-pyridin-2-ylethyl)benzamide (CID 1057393) is N-[(4-ethoxyphenyl)methyl]-4-ethyl-N-(2-pyridin-2-ylethyl)benzamide.
What is the SMILES notation for N-[(4-ethoxyphenyl)methyl]-4-ethyl-N-(2-pyridin-2-ylethyl)benzamide?
The canonical SMILES for N-[(4-ethoxyphenyl)methyl]-4-ethyl-N-(2-pyridin-2-ylethyl)benzamide is CCOc1ccc(CN(CCc2ccccn2)C(=O)c2ccc(CC)cc2)cc1.
What is the InChIKey of N-[(4-ethoxyphenyl)methyl]-4-ethyl-N-(2-pyridin-2-ylethyl)benzamide?
The InChIKey is YIQBJGQRFXUXKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N2O2/c1-3-20-8-12-22(13-9-20)25(28)27(18-16-23-7-5-6-17-26-23)19-21-10-14-24(15-11-21)29-4-2/h5-15,17H,3-4,16,18-19H2,1-2H3.
What are the key properties of N-[(4-ethoxyphenyl)methyl]-4-ethyl-N-(2-pyridin-2-ylethyl)benzamide?
N-[(4-ethoxyphenyl)methyl]-4-ethyl-N-(2-pyridin-2-ylethyl)benzamide has a molecular weight of 388.51 g/mol, XLogP of 4.93, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-ethoxyphenyl)methyl]-4-ethyl-N-(2-pyridin-2-ylethyl)benzamide is sourced from PubChem (CID 1057393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).