2-[[2-(tert-butylamino)-2-oxoethyl]-ethylamino]-N-[(4-chlorophenyl)methyl]acetamide

C17H26ClN3O2 — CID 8796001

IUPAC2-[[2-(tert-butylamino)-2-oxoethyl]-ethylamino]-N-[(4-chlorophenyl)methyl]acetamide
SMILESCCN(CC(=O)NCc1ccc(Cl)cc1)CC(=O)NC(C)(C)C
InChIInChI=1S/C17H26ClN3O2/c1-5-21(12-16(23)20-17(2,3)4)11-15(22)19-10-13-6-8-14(18)9-7-13/h6-9H,5,10-12H2,1-4H3,(H,19,22)(H,20,23)
InChIKeyWWIVRVOVJMUYJP-UHFFFAOYSA-N
MW339.87 g/mol
LogP2.19
Rot. Bonds7

About 2-[[2-(tert-butylamino)-2-oxoethyl]-ethylamino]-N-[(4-chlorophenyl)methyl]acetamide

2-[[2-(tert-butylamino)-2-oxoethyl]-ethylamino]-N-[(4-chlorophenyl)methyl]acetamide (PubChem CID 8796001) has the molecular formula C17H26ClN3O2 and a molecular weight of 339.87 g/mol. Its IUPAC name is 2-[[2-(tert-butylamino)-2-oxoethyl]-ethylamino]-N-[(4-chlorophenyl)methyl]acetamide.

Molecular Properties

Compound Name2-[[2-(tert-butylamino)-2-oxoethyl]-ethylamino]-N-[(4-chlorophenyl)methyl]acetamide
PubChem CID8796001
Molecular FormulaC17H26ClN3O2
Molecular Weight339.87 g/mol
Exact Mass339.17
IUPAC Name2-[[2-(tert-butylamino)-2-oxoethyl]-ethylamino]-N-[(4-chlorophenyl)methyl]acetamide
SMILESCCN(CC(=O)NCc1ccc(Cl)cc1)CC(=O)NC(C)(C)C
InChIInChI=1S/C17H26ClN3O2/c1-5-21(12-16(23)20-17(2,3)4)11-15(22)19-10-13-6-8-14(18)9-7-13/h6-9H,5,10-12H2,1-4H3,(H,19,22)(H,20,23)
InChIKeyWWIVRVOVJMUYJP-UHFFFAOYSA-N
XLogP2.19
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.87
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[[2-(tert-butylamino)-2-oxoethyl]-ethylamino]-N-[(4-chlorophenyl)methyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[[2-(4-acetamidoanilino)-2-oxoethyl]-ethylamino]-N-[(4-chlorophenyl)methyl]acetamide
CID 8779934
N-[(4-chlorophenyl)methyl]-3-(diethylamino)propanamide
CID 109021668
N-[(4-chlorophenyl)methyl]-N',N'-diethylpropanediamide
CID 108946721
2-(tert-butylamino)-N-[(4-chlorophenyl)methyl]acetamide
CID 78907391
N-tert-butyl-2-[(3-chlorophenyl)methyl-ethylamino]acetamide
CID 78791266
N-benzyl-2-(diethylamino)acetamide
CID 969777
3-[[2-[(4-chlorophenyl)methyl-ethylamino]acetyl]amino]-2,2,3-trimethylbutanoic acid
CID 75445735
2-[[2-(2,5-dichloroanilino)-2-oxoethyl]-ethylamino]-N-[(4-fluorophenyl)methyl]acetamide
CID 2522121
N-tert-butyl-2-[[N-[(4-chlorophenyl)methyl]-N'-methylcarbamimidoyl]amino]acetamide
CID 111130902
2-[ethyl-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]amino]-N-[(4-fluorophenyl)methyl]acetamide
CID 31371490
N-tert-butyl-2-(diethylamino)acetamide;hydrochloride
CID 138397018
2-[[2-(tert-butylamino)-2-oxoethyl]-ethylamino]-N-naphthalen-1-ylacetamide
CID 2450964

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(tert-butylamino)-2-oxoethyl]-ethylamino]-N-[(4-chlorophenyl)methyl]acetamide?
The IUPAC name of 2-[[2-(tert-butylamino)-2-oxoethyl]-ethylamino]-N-[(4-chlorophenyl)methyl]acetamide (CID 8796001) is 2-[[2-(tert-butylamino)-2-oxoethyl]-ethylamino]-N-[(4-chlorophenyl)methyl]acetamide.
What is the SMILES notation for 2-[[2-(tert-butylamino)-2-oxoethyl]-ethylamino]-N-[(4-chlorophenyl)methyl]acetamide?
The canonical SMILES for 2-[[2-(tert-butylamino)-2-oxoethyl]-ethylamino]-N-[(4-chlorophenyl)methyl]acetamide is CCN(CC(=O)NCc1ccc(Cl)cc1)CC(=O)NC(C)(C)C.
What is the InChIKey of 2-[[2-(tert-butylamino)-2-oxoethyl]-ethylamino]-N-[(4-chlorophenyl)methyl]acetamide?
The InChIKey is WWIVRVOVJMUYJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26ClN3O2/c1-5-21(12-16(23)20-17(2,3)4)11-15(22)19-10-13-6-8-14(18)9-7-13/h6-9H,5,10-12H2,1-4H3,(H,19,22)(H,20,23).
What are the key properties of 2-[[2-(tert-butylamino)-2-oxoethyl]-ethylamino]-N-[(4-chlorophenyl)methyl]acetamide?
2-[[2-(tert-butylamino)-2-oxoethyl]-ethylamino]-N-[(4-chlorophenyl)methyl]acetamide has a molecular weight of 339.87 g/mol, XLogP of 2.19, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(tert-butylamino)-2-oxoethyl]-ethylamino]-N-[(4-chlorophenyl)methyl]acetamide is sourced from PubChem (CID 8796001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).