2-[2-(2-bromophenyl)ethylcarbamoyl-ethylamino]-N-tert-butylacetamide

C17H26BrN3O2 — CID 48964163

IUPAC2-[2-(2-bromophenyl)ethylcarbamoyl-ethylamino]-N-tert-butylacetamide
SMILESCCN(CC(=O)NC(C)(C)C)C(=O)NCCc1ccccc1Br
InChIInChI=1S/C17H26BrN3O2/c1-5-21(12-15(22)20-17(2,3)4)16(23)19-11-10-13-8-6-7-9-14(13)18/h6-9H,5,10-12H2,1-4H3,(H,19,23)(H,20,22)
InChIKeyVWPYRJRSYHMZEM-UHFFFAOYSA-N
MW384.32 g/mol
LogP2.94
Rot. Bonds6

About 2-[2-(2-bromophenyl)ethylcarbamoyl-ethylamino]-N-tert-butylacetamide

2-[2-(2-bromophenyl)ethylcarbamoyl-ethylamino]-N-tert-butylacetamide (PubChem CID 48964163) has the molecular formula C17H26BrN3O2 and a molecular weight of 384.32 g/mol. Its IUPAC name is 2-[2-(2-bromophenyl)ethylcarbamoyl-ethylamino]-N-tert-butylacetamide.

Molecular Properties

Compound Name2-[2-(2-bromophenyl)ethylcarbamoyl-ethylamino]-N-tert-butylacetamide
PubChem CID48964163
Molecular FormulaC17H26BrN3O2
Molecular Weight384.32 g/mol
Exact Mass383.12
IUPAC Name2-[2-(2-bromophenyl)ethylcarbamoyl-ethylamino]-N-tert-butylacetamide
SMILESCCN(CC(=O)NC(C)(C)C)C(=O)NCCc1ccccc1Br
InChIInChI=1S/C17H26BrN3O2/c1-5-21(12-15(22)20-17(2,3)4)16(23)19-11-10-13-8-6-7-9-14(13)18/h6-9H,5,10-12H2,1-4H3,(H,19,23)(H,20,22)
InChIKeyVWPYRJRSYHMZEM-UHFFFAOYSA-N
XLogP2.94
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.32
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-[2-(2-bromophenyl)ethylcarbamoyl-ethylamino]-N-tert-butylacetamide 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

3-[2-(2-bromophenyl)ethyl]-1-ethyl-1-(2-hydroxyethyl)urea
CID 49132868
2-(2-bromophenyl)-N-[2-(diethylamino)-2-oxoethyl]acetamide
CID 112994741
1-[2-(2-bromophenyl)ethyl]-3-[2-(2-methylphenyl)ethyl]urea
CID 52797116
1-[2-(2-bromophenyl)ethyl]-3-butylurea
CID 108888202
1-[2-(2-bromophenyl)ethyl]-3-[(E)-but-1-enyl]urea
CID 108910838
methyl 3-[[2-(tert-butylamino)-2-oxoethyl]-ethylcarbamoyl]benzoate
CID 47044869
N-[(2-bromophenyl)methyl]-2-(dimethylamino)acetamide
CID 110479783
1-[2-[2-bromo-5-(trifluoromethyl)phenyl]ethyl]-1-ethyl-3-(2-phenylethyl)urea
CID 175268906
3-(2-bromophenyl)-N-ethyl-N-(2-hydroxy-2-methylpropyl)propanamide
CID 111596500
1-[2-(2-bromophenyl)ethyl]-3-[(E)-2-methylbut-1-enyl]urea
CID 108914513
3-acetamido-N-[2-(tert-butylamino)-2-oxoethyl]-N-ethylbenzamide
CID 51172752
1-[2-(2-bromophenyl)ethyl]-3-[4-(diethylamino)phenyl]urea
CID 108900589

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-bromophenyl)ethylcarbamoyl-ethylamino]-N-tert-butylacetamide?
The IUPAC name of 2-[2-(2-bromophenyl)ethylcarbamoyl-ethylamino]-N-tert-butylacetamide (CID 48964163) is 2-[2-(2-bromophenyl)ethylcarbamoyl-ethylamino]-N-tert-butylacetamide.
What is the SMILES notation for 2-[2-(2-bromophenyl)ethylcarbamoyl-ethylamino]-N-tert-butylacetamide?
The canonical SMILES for 2-[2-(2-bromophenyl)ethylcarbamoyl-ethylamino]-N-tert-butylacetamide is CCN(CC(=O)NC(C)(C)C)C(=O)NCCc1ccccc1Br.
What is the InChIKey of 2-[2-(2-bromophenyl)ethylcarbamoyl-ethylamino]-N-tert-butylacetamide?
The InChIKey is VWPYRJRSYHMZEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26BrN3O2/c1-5-21(12-15(22)20-17(2,3)4)16(23)19-11-10-13-8-6-7-9-14(13)18/h6-9H,5,10-12H2,1-4H3,(H,19,23)(H,20,22).
What are the key properties of 2-[2-(2-bromophenyl)ethylcarbamoyl-ethylamino]-N-tert-butylacetamide?
2-[2-(2-bromophenyl)ethylcarbamoyl-ethylamino]-N-tert-butylacetamide has a molecular weight of 384.32 g/mol, XLogP of 2.94, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-bromophenyl)ethylcarbamoyl-ethylamino]-N-tert-butylacetamide is sourced from PubChem (CID 48964163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).