2-[3-[[acetyl(ethyl)amino]methyl]anilino]-N-(4-ethylphenyl)acetamide

C21H27N3O2 — CID 36853289

IUPAC2-[3-[[acetyl(ethyl)amino]methyl]anilino]-N-(4-ethylphenyl)acetamide
SMILESCCc1ccc(NC(=O)CNc2cccc(CN(CC)C(C)=O)c2)cc1
InChIInChI=1S/C21H27N3O2/c1-4-17-9-11-19(12-10-17)23-21(26)14-22-20-8-6-7-18(13-20)15-24(5-2)16(3)25/h6-13,22H,4-5,14-15H2,1-3H3,(H,23,26)
InChIKeyPHWGKLDSIWTYTM-UHFFFAOYSA-N
MW353.47 g/mol
LogP3.67
Rot. Bonds8

About 2-[3-[[acetyl(ethyl)amino]methyl]anilino]-N-(4-ethylphenyl)acetamide

2-[3-[[acetyl(ethyl)amino]methyl]anilino]-N-(4-ethylphenyl)acetamide (PubChem CID 36853289) has the molecular formula C21H27N3O2 and a molecular weight of 353.47 g/mol. Its IUPAC name is 2-[3-[[acetyl(ethyl)amino]methyl]anilino]-N-(4-ethylphenyl)acetamide.

Molecular Properties

Compound Name2-[3-[[acetyl(ethyl)amino]methyl]anilino]-N-(4-ethylphenyl)acetamide
PubChem CID36853289
Molecular FormulaC21H27N3O2
Molecular Weight353.47 g/mol
Exact Mass353.21
IUPAC Name2-[3-[[acetyl(ethyl)amino]methyl]anilino]-N-(4-ethylphenyl)acetamide
SMILESCCc1ccc(NC(=O)CNc2cccc(CN(CC)C(C)=O)c2)cc1
InChIInChI=1S/C21H27N3O2/c1-4-17-9-11-19(12-10-17)23-21(26)14-22-20-8-6-7-18(13-20)15-24(5-2)16(3)25/h6-13,22H,4-5,14-15H2,1-3H3,(H,23,26)
InChIKeyPHWGKLDSIWTYTM-UHFFFAOYSA-N
XLogP3.67
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.47
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-[[acetyl(ethyl)amino]methyl]anilino]-N-(2,6-dimethylphenyl)acetamide
CID 36853212
2-[3-[[acetyl(ethyl)amino]methyl]anilino]-N-(2-chlorophenyl)acetamide
CID 36853201
2-[3-[[acetyl(ethyl)amino]methyl]anilino]-N-(2,4-dichlorophenyl)acetamide
CID 36853264
N-[3-[[acetyl(ethyl)amino]methyl]phenyl]-2-(4-ethoxyphenyl)acetamide
CID 38811561
N-[4-[2-[3-[[acetyl(ethyl)amino]methyl]anilino]-2-oxoethyl]phenyl]-5-bromofuran-2-carboxamide
CID 60511418
N-ethyl-N-[[3-[[4-(trifluoromethyl)phenyl]methylamino]phenyl]methyl]acetamide
CID 78894846
2-(3,4-difluoroanilino)-N-(3-ethylphenyl)acetamide
CID 112799800
N-[3-[[acetyl(ethyl)amino]methyl]phenyl]-3-(2,4-dimethylphenyl)propanamide
CID 46440379
N-[3-[[acetyl(ethyl)amino]methyl]phenyl]-2-(2,5-dimethylphenoxy)acetamide
CID 38810050
N-(4-acetylphenyl)-2-(4-ethylanilino)acetamide
CID 37465418
N-[3-[3-[[acetyl(ethyl)amino]methyl]anilino]-3-oxopropyl]-2-methylbenzamide
CID 34333863
3-[[2-[4-(butanoylamino)anilino]-2-oxoethyl]amino]-N,N-diethylbenzamide
CID 54832690

Frequently Asked Questions

What is the IUPAC name of 2-[3-[[acetyl(ethyl)amino]methyl]anilino]-N-(4-ethylphenyl)acetamide?
The IUPAC name of 2-[3-[[acetyl(ethyl)amino]methyl]anilino]-N-(4-ethylphenyl)acetamide (CID 36853289) is 2-[3-[[acetyl(ethyl)amino]methyl]anilino]-N-(4-ethylphenyl)acetamide.
What is the SMILES notation for 2-[3-[[acetyl(ethyl)amino]methyl]anilino]-N-(4-ethylphenyl)acetamide?
The canonical SMILES for 2-[3-[[acetyl(ethyl)amino]methyl]anilino]-N-(4-ethylphenyl)acetamide is CCc1ccc(NC(=O)CNc2cccc(CN(CC)C(C)=O)c2)cc1.
What is the InChIKey of 2-[3-[[acetyl(ethyl)amino]methyl]anilino]-N-(4-ethylphenyl)acetamide?
The InChIKey is PHWGKLDSIWTYTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O2/c1-4-17-9-11-19(12-10-17)23-21(26)14-22-20-8-6-7-18(13-20)15-24(5-2)16(3)25/h6-13,22H,4-5,14-15H2,1-3H3,(H,23,26).
What are the key properties of 2-[3-[[acetyl(ethyl)amino]methyl]anilino]-N-(4-ethylphenyl)acetamide?
2-[3-[[acetyl(ethyl)amino]methyl]anilino]-N-(4-ethylphenyl)acetamide has a molecular weight of 353.47 g/mol, XLogP of 3.67, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[[acetyl(ethyl)amino]methyl]anilino]-N-(4-ethylphenyl)acetamide is sourced from PubChem (CID 36853289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).