2-[bis(prop-2-enyl)amino]-N-(4-bromophenyl)acetamide

C14H17BrN2O — CID 30601

IUPAC2-[bis(prop-2-enyl)amino]-N-(4-bromophenyl)acetamide
SMILESC=CCN(CC=C)CC(=O)Nc1ccc(Br)cc1
InChIInChI=1S/C14H17BrN2O/c1-3-9-17(10-4-2)11-14(18)16-13-7-5-12(15)6-8-13/h3-8H,1-2,9-11H2,(H,16,18)
InChIKeyKVVHQLBNPLIICJ-UHFFFAOYSA-N
MW309.21 g/mol
LogP3.06
Rot. Bonds7

About 2-[bis(prop-2-enyl)amino]-N-(4-bromophenyl)acetamide

2-[bis(prop-2-enyl)amino]-N-(4-bromophenyl)acetamide (PubChem CID 30601) has the molecular formula C14H17BrN2O and a molecular weight of 309.21 g/mol. Its IUPAC name is 2-[bis(prop-2-enyl)amino]-N-(4-bromophenyl)acetamide.

Molecular Properties

Compound Name2-[bis(prop-2-enyl)amino]-N-(4-bromophenyl)acetamide
PubChem CID30601
Molecular FormulaC14H17BrN2O
Molecular Weight309.21 g/mol
Exact Mass308.05
IUPAC Name2-[bis(prop-2-enyl)amino]-N-(4-bromophenyl)acetamide
SMILESC=CCN(CC=C)CC(=O)Nc1ccc(Br)cc1
InChIInChI=1S/C14H17BrN2O/c1-3-9-17(10-4-2)11-14(18)16-13-7-5-12(15)6-8-13/h3-8H,1-2,9-11H2,(H,16,18)
InChIKeyKVVHQLBNPLIICJ-UHFFFAOYSA-N
XLogP3.06
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.21
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 2-[bis(prop-2-enyl)amino]-N-(4-bromophenyl)acetamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[bis(prop-2-enyl)amino]-N-(4-bromophenyl)acetamide?
The IUPAC name of 2-[bis(prop-2-enyl)amino]-N-(4-bromophenyl)acetamide (CID 30601) is 2-[bis(prop-2-enyl)amino]-N-(4-bromophenyl)acetamide.
What is the SMILES notation for 2-[bis(prop-2-enyl)amino]-N-(4-bromophenyl)acetamide?
The canonical SMILES for 2-[bis(prop-2-enyl)amino]-N-(4-bromophenyl)acetamide is C=CCN(CC=C)CC(=O)Nc1ccc(Br)cc1.
What is the InChIKey of 2-[bis(prop-2-enyl)amino]-N-(4-bromophenyl)acetamide?
The InChIKey is KVVHQLBNPLIICJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrN2O/c1-3-9-17(10-4-2)11-14(18)16-13-7-5-12(15)6-8-13/h3-8H,1-2,9-11H2,(H,16,18).
What are the key properties of 2-[bis(prop-2-enyl)amino]-N-(4-bromophenyl)acetamide?
2-[bis(prop-2-enyl)amino]-N-(4-bromophenyl)acetamide has a molecular weight of 309.21 g/mol, XLogP of 3.06, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[bis(prop-2-enyl)amino]-N-(4-bromophenyl)acetamide is sourced from PubChem (CID 30601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).