N-benzyl-2-[[2-(2-ethylanilino)-2-oxoethyl]-methylamino]acetamide

C20H25N3O2 — CID 18083031

IUPACN-benzyl-2-[[2-(2-ethylanilino)-2-oxoethyl]-methylamino]acetamide
SMILESCCc1ccccc1NC(=O)CN(C)CC(=O)NCc1ccccc1
InChIInChI=1S/C20H25N3O2/c1-3-17-11-7-8-12-18(17)22-20(25)15-23(2)14-19(24)21-13-16-9-5-4-6-10-16/h4-12H,3,13-15H2,1-2H3,(H,21,24)(H,22,25)
InChIKeyVKUBWDFRYKLIJY-UHFFFAOYSA-N
MW339.44 g/mol
LogP2.44
Rot. Bonds8

About N-benzyl-2-[[2-(2-ethylanilino)-2-oxoethyl]-methylamino]acetamide

N-benzyl-2-[[2-(2-ethylanilino)-2-oxoethyl]-methylamino]acetamide (PubChem CID 18083031) has the molecular formula C20H25N3O2 and a molecular weight of 339.44 g/mol. Its IUPAC name is N-benzyl-2-[[2-(2-ethylanilino)-2-oxoethyl]-methylamino]acetamide.

Molecular Properties

Compound NameN-benzyl-2-[[2-(2-ethylanilino)-2-oxoethyl]-methylamino]acetamide
PubChem CID18083031
Molecular FormulaC20H25N3O2
Molecular Weight339.44 g/mol
Exact Mass339.19
IUPAC NameN-benzyl-2-[[2-(2-ethylanilino)-2-oxoethyl]-methylamino]acetamide
SMILESCCc1ccccc1NC(=O)CN(C)CC(=O)NCc1ccccc1
InChIInChI=1S/C20H25N3O2/c1-3-17-11-7-8-12-18(17)22-20(25)15-23(2)14-19(24)21-13-16-9-5-4-6-10-16/h4-12H,3,13-15H2,1-2H3,(H,21,24)(H,22,25)
InChIKeyVKUBWDFRYKLIJY-UHFFFAOYSA-N
XLogP2.44
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3-chlorophenyl)methyl]-2-[[2-(2-ethylanilino)-2-oxoethyl]-methylamino]acetamide
CID 9304232
N-benzyl-N'-(2-ethylphenyl)propanediamide
CID 108945270
2-[[2-(2-ethylanilino)-2-oxoethyl]-methylamino]-N-prop-2-ynylacetamide
CID 8789459
N-(2-ethylphenyl)-2-[(4-ethylphenyl)methyl-methylamino]acetamide
CID 27095559
2-[[2-[[2-(2-ethylanilino)-2-oxoethyl]-methylamino]acetyl]amino]benzamide
CID 18135262
2-[[2-(3,5-dimethylanilino)-2-oxoethyl]-methylamino]-N-(2-ethylphenyl)acetamide
CID 9304031
N-(4-bromophenyl)-2-[[2-(2-ethylanilino)-2-oxoethyl]-methylamino]acetamide
CID 46562888
2-(benzylamino)-N-(2-ethylphenyl)acetamide
CID 766717
2-[(4-bromophenyl)methyl-methylamino]-N-(2-ethylphenyl)acetamide
CID 9039948
2-[(3-chlorophenyl)methyl-methylamino]-N-(2-ethylphenyl)acetamide
CID 26510093
N-(2-ethylphenyl)-2-[methyl-[2-[[(1R)-1-naphthalen-1-ylethyl]amino]-2-oxoethyl]amino]acetamide
CID 8789532
N-(2-ethylphenyl)-2-[3-hydroxybutyl(methyl)amino]acetamide
CID 111488425

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[[2-(2-ethylanilino)-2-oxoethyl]-methylamino]acetamide?
The IUPAC name of N-benzyl-2-[[2-(2-ethylanilino)-2-oxoethyl]-methylamino]acetamide (CID 18083031) is N-benzyl-2-[[2-(2-ethylanilino)-2-oxoethyl]-methylamino]acetamide.
What is the SMILES notation for N-benzyl-2-[[2-(2-ethylanilino)-2-oxoethyl]-methylamino]acetamide?
The canonical SMILES for N-benzyl-2-[[2-(2-ethylanilino)-2-oxoethyl]-methylamino]acetamide is CCc1ccccc1NC(=O)CN(C)CC(=O)NCc1ccccc1.
What is the InChIKey of N-benzyl-2-[[2-(2-ethylanilino)-2-oxoethyl]-methylamino]acetamide?
The InChIKey is VKUBWDFRYKLIJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O2/c1-3-17-11-7-8-12-18(17)22-20(25)15-23(2)14-19(24)21-13-16-9-5-4-6-10-16/h4-12H,3,13-15H2,1-2H3,(H,21,24)(H,22,25).
What are the key properties of N-benzyl-2-[[2-(2-ethylanilino)-2-oxoethyl]-methylamino]acetamide?
N-benzyl-2-[[2-(2-ethylanilino)-2-oxoethyl]-methylamino]acetamide has a molecular weight of 339.44 g/mol, XLogP of 2.44, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-[[2-(2-ethylanilino)-2-oxoethyl]-methylamino]acetamide is sourced from PubChem (CID 18083031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).