2-[[2-[benzyl(ethyl)amino]acetyl]amino]-N-(2,3-dimethylphenyl)acetamide

C21H27N3O2 — CID 8533565

IUPAC2-[[2-[benzyl(ethyl)amino]acetyl]amino]-N-(2,3-dimethylphenyl)acetamide
SMILESCCN(CC(=O)NCC(=O)Nc1cccc(C)c1C)Cc1ccccc1
InChIInChI=1S/C21H27N3O2/c1-4-24(14-18-10-6-5-7-11-18)15-21(26)22-13-20(25)23-19-12-8-9-16(2)17(19)3/h5-12H,4,13-15H2,1-3H3,(H,22,26)(H,23,25)
InChIKeyPNEPNNJQHJJRSC-UHFFFAOYSA-N
MW353.47 g/mol
LogP2.88
Rot. Bonds8

About 2-[[2-[benzyl(ethyl)amino]acetyl]amino]-N-(2,3-dimethylphenyl)acetamide

2-[[2-[benzyl(ethyl)amino]acetyl]amino]-N-(2,3-dimethylphenyl)acetamide (PubChem CID 8533565) has the molecular formula C21H27N3O2 and a molecular weight of 353.47 g/mol. Its IUPAC name is 2-[[2-[benzyl(ethyl)amino]acetyl]amino]-N-(2,3-dimethylphenyl)acetamide.

Molecular Properties

Compound Name2-[[2-[benzyl(ethyl)amino]acetyl]amino]-N-(2,3-dimethylphenyl)acetamide
PubChem CID8533565
Molecular FormulaC21H27N3O2
Molecular Weight353.47 g/mol
Exact Mass353.21
IUPAC Name2-[[2-[benzyl(ethyl)amino]acetyl]amino]-N-(2,3-dimethylphenyl)acetamide
SMILESCCN(CC(=O)NCC(=O)Nc1cccc(C)c1C)Cc1ccccc1
InChIInChI=1S/C21H27N3O2/c1-4-24(14-18-10-6-5-7-11-18)15-21(26)22-13-20(25)23-19-12-8-9-16(2)17(19)3/h5-12H,4,13-15H2,1-3H3,(H,22,26)(H,23,25)
InChIKeyPNEPNNJQHJJRSC-UHFFFAOYSA-N
XLogP2.88
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 ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-[benzyl(ethyl)amino]acetyl]amino]-N-(2,3-dimethylphenyl)acetamide?
The IUPAC name of 2-[[2-[benzyl(ethyl)amino]acetyl]amino]-N-(2,3-dimethylphenyl)acetamide (CID 8533565) is 2-[[2-[benzyl(ethyl)amino]acetyl]amino]-N-(2,3-dimethylphenyl)acetamide.
What is the SMILES notation for 2-[[2-[benzyl(ethyl)amino]acetyl]amino]-N-(2,3-dimethylphenyl)acetamide?
The canonical SMILES for 2-[[2-[benzyl(ethyl)amino]acetyl]amino]-N-(2,3-dimethylphenyl)acetamide is CCN(CC(=O)NCC(=O)Nc1cccc(C)c1C)Cc1ccccc1.
What is the InChIKey of 2-[[2-[benzyl(ethyl)amino]acetyl]amino]-N-(2,3-dimethylphenyl)acetamide?
The InChIKey is PNEPNNJQHJJRSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O2/c1-4-24(14-18-10-6-5-7-11-18)15-21(26)22-13-20(25)23-19-12-8-9-16(2)17(19)3/h5-12H,4,13-15H2,1-3H3,(H,22,26)(H,23,25).
What are the key properties of 2-[[2-[benzyl(ethyl)amino]acetyl]amino]-N-(2,3-dimethylphenyl)acetamide?
2-[[2-[benzyl(ethyl)amino]acetyl]amino]-N-(2,3-dimethylphenyl)acetamide has a molecular weight of 353.47 g/mol, XLogP of 2.88, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[benzyl(ethyl)amino]acetyl]amino]-N-(2,3-dimethylphenyl)acetamide is sourced from PubChem (CID 8533565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).