N-[3-[[acetyl(ethyl)amino]methyl]phenyl]-2-(4-ethoxyphenyl)acetamide

C21H26N2O3 — CID 38811561

IUPACN-[3-[[acetyl(ethyl)amino]methyl]phenyl]-2-(4-ethoxyphenyl)acetamide
SMILESCCOc1ccc(CC(=O)Nc2cccc(CN(CC)C(C)=O)c2)cc1
InChIInChI=1S/C21H26N2O3/c1-4-23(16(3)24)15-18-7-6-8-19(13-18)22-21(25)14-17-9-11-20(12-10-17)26-5-2/h6-13H,4-5,14-15H2,1-3H3,(H,22,25)
InChIKeyBSUPGRWQZUHQNL-UHFFFAOYSA-N
MW354.45 g/mol
LogP3.63
Rot. Bonds8

About N-[3-[[acetyl(ethyl)amino]methyl]phenyl]-2-(4-ethoxyphenyl)acetamide

N-[3-[[acetyl(ethyl)amino]methyl]phenyl]-2-(4-ethoxyphenyl)acetamide (PubChem CID 38811561) has the molecular formula C21H26N2O3 and a molecular weight of 354.45 g/mol. Its IUPAC name is N-[3-[[acetyl(ethyl)amino]methyl]phenyl]-2-(4-ethoxyphenyl)acetamide.

Molecular Properties

Compound NameN-[3-[[acetyl(ethyl)amino]methyl]phenyl]-2-(4-ethoxyphenyl)acetamide
PubChem CID38811561
Molecular FormulaC21H26N2O3
Molecular Weight354.45 g/mol
Exact Mass354.19
IUPAC NameN-[3-[[acetyl(ethyl)amino]methyl]phenyl]-2-(4-ethoxyphenyl)acetamide
SMILESCCOc1ccc(CC(=O)Nc2cccc(CN(CC)C(C)=O)c2)cc1
InChIInChI=1S/C21H26N2O3/c1-4-23(16(3)24)15-18-7-6-8-19(13-18)22-21(25)14-17-9-11-20(12-10-17)26-5-2/h6-13H,4-5,14-15H2,1-3H3,(H,22,25)
InChIKeyBSUPGRWQZUHQNL-UHFFFAOYSA-N
XLogP3.63
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-ethoxyphenyl)-N-(3-fluorophenyl)acetamide
CID 26579486
N-[4-[2-[3-[[acetyl(ethyl)amino]methyl]anilino]-2-oxoethyl]phenyl]-5-bromofuran-2-carboxamide
CID 60511418
N-[3-[[acetyl(ethyl)amino]methyl]phenyl]-4-pentoxybenzamide
CID 38810181
methyl 3-[[2-(4-ethoxyphenyl)acetyl]amino]benzoate
CID 17414832
N-[3-[[acetyl(ethyl)amino]methyl]phenyl]-3-(4-methoxyphenyl)sulfanylpropanamide
CID 34334963
N-[3-[[acetyl(ethyl)amino]methyl]phenyl]-2-(2,5-dimethylphenoxy)acetamide
CID 38810050
2-(4-ethoxyphenyl)-N-(3-methylsulfonylphenyl)acetamide
CID 27334833
2-[3-[[acetyl(ethyl)amino]methyl]anilino]-N-(4-ethylphenyl)acetamide
CID 36853289
N-[3-(2-amino-2-oxoethoxy)phenyl]-2-(4-ethoxyphenyl)acetamide
CID 24649938
N-[3-[[acetyl(ethyl)amino]methyl]phenyl]-3-(2,4-dimethylphenyl)propanamide
CID 46440379
N-[3-[[acetyl(ethyl)amino]methyl]phenyl]-4-(2-bromophenoxy)butanamide
CID 55760971
[3-[[4-[[2-(4-ethoxyphenyl)acetyl]amino]phenyl]carbamoyl]phenyl] acetate
CID 108927655

Frequently Asked Questions

What is the IUPAC name of N-[3-[[acetyl(ethyl)amino]methyl]phenyl]-2-(4-ethoxyphenyl)acetamide?
The IUPAC name of N-[3-[[acetyl(ethyl)amino]methyl]phenyl]-2-(4-ethoxyphenyl)acetamide (CID 38811561) is N-[3-[[acetyl(ethyl)amino]methyl]phenyl]-2-(4-ethoxyphenyl)acetamide.
What is the SMILES notation for N-[3-[[acetyl(ethyl)amino]methyl]phenyl]-2-(4-ethoxyphenyl)acetamide?
The canonical SMILES for N-[3-[[acetyl(ethyl)amino]methyl]phenyl]-2-(4-ethoxyphenyl)acetamide is CCOc1ccc(CC(=O)Nc2cccc(CN(CC)C(C)=O)c2)cc1.
What is the InChIKey of N-[3-[[acetyl(ethyl)amino]methyl]phenyl]-2-(4-ethoxyphenyl)acetamide?
The InChIKey is BSUPGRWQZUHQNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O3/c1-4-23(16(3)24)15-18-7-6-8-19(13-18)22-21(25)14-17-9-11-20(12-10-17)26-5-2/h6-13H,4-5,14-15H2,1-3H3,(H,22,25).
What are the key properties of N-[3-[[acetyl(ethyl)amino]methyl]phenyl]-2-(4-ethoxyphenyl)acetamide?
N-[3-[[acetyl(ethyl)amino]methyl]phenyl]-2-(4-ethoxyphenyl)acetamide has a molecular weight of 354.45 g/mol, XLogP of 3.63, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[acetyl(ethyl)amino]methyl]phenyl]-2-(4-ethoxyphenyl)acetamide is sourced from PubChem (CID 38811561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).