N-[(4-bromophenyl)methyl]-N-methyl-2-(prop-2-enylamino)acetamide

C13H17BrN2O — CID 78908264

IUPACN-[(4-bromophenyl)methyl]-N-methyl-2-(prop-2-enylamino)acetamide
SMILESC=CCNCC(=O)N(C)Cc1ccc(Br)cc1
InChIInChI=1S/C13H17BrN2O/c1-3-8-15-9-13(17)16(2)10-11-4-6-12(14)7-5-11/h3-7,15H,1,8-10H2,2H3
InChIKeyPYVDODIMDLUCHK-UHFFFAOYSA-N
MW297.20 g/mol
LogP2.18
Rot. Bonds6

About N-[(4-bromophenyl)methyl]-N-methyl-2-(prop-2-enylamino)acetamide

N-[(4-bromophenyl)methyl]-N-methyl-2-(prop-2-enylamino)acetamide (PubChem CID 78908264) has the molecular formula C13H17BrN2O and a molecular weight of 297.20 g/mol. Its IUPAC name is N-[(4-bromophenyl)methyl]-N-methyl-2-(prop-2-enylamino)acetamide.

Molecular Properties

Compound NameN-[(4-bromophenyl)methyl]-N-methyl-2-(prop-2-enylamino)acetamide
PubChem CID78908264
Molecular FormulaC13H17BrN2O
Molecular Weight297.20 g/mol
Exact Mass296.05
IUPAC NameN-[(4-bromophenyl)methyl]-N-methyl-2-(prop-2-enylamino)acetamide
SMILESC=CCNCC(=O)N(C)Cc1ccc(Br)cc1
InChIInChI=1S/C13H17BrN2O/c1-3-8-15-9-13(17)16(2)10-11-4-6-12(14)7-5-11/h3-7,15H,1,8-10H2,2H3
InChIKeyPYVDODIMDLUCHK-UHFFFAOYSA-N
XLogP2.18
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.20
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-N-[(4-propan-2-ylphenyl)methyl]-2-(prop-2-enylamino)acetamide
CID 78914551
N-[(4-cyanophenyl)methyl]-N-methyl-2-(prop-2-enylamino)acetamide
CID 79285400
N-[(4-bromophenyl)methyl]-2-(2-methoxyethylamino)-N-methylacetamide
CID 78908417
N-[(4-bromophenyl)methyl]-2-hydroxy-N-methylacetamide
CID 82132454
N-[(4-bromophenyl)methyl]-2-(prop-2-enylamino)acetamide
CID 79285936
N-[(4-bromophenyl)methyl]-2-(dimethylamino)-N-methylacetamide
CID 103601047
1-[(4-bromophenyl)methyl]-1,2-dimethyl-3-prop-2-enylguanidine
CID 111293025
N-[(4-bromophenyl)methyl]-2-(butan-2-ylamino)-N-methylacetamide
CID 60646795
N-[(2,4-dimethylphenyl)methyl]-N-methyl-2-(prop-2-enylamino)acetamide
CID 78914540
N-[2-[benzyl(methyl)amino]-2-oxoethyl]-2-(4-bromophenyl)acetamide
CID 112992420
2-(4-acetamidophenyl)-N-[(4-bromophenyl)methyl]-N-methylacetamide
CID 32758175
N-[(4-bromophenyl)methyl]-3,3,3-trifluoro-N-methylpropanamide
CID 60731305

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromophenyl)methyl]-N-methyl-2-(prop-2-enylamino)acetamide?
The IUPAC name of N-[(4-bromophenyl)methyl]-N-methyl-2-(prop-2-enylamino)acetamide (CID 78908264) is N-[(4-bromophenyl)methyl]-N-methyl-2-(prop-2-enylamino)acetamide.
What is the SMILES notation for N-[(4-bromophenyl)methyl]-N-methyl-2-(prop-2-enylamino)acetamide?
The canonical SMILES for N-[(4-bromophenyl)methyl]-N-methyl-2-(prop-2-enylamino)acetamide is C=CCNCC(=O)N(C)Cc1ccc(Br)cc1.
What is the InChIKey of N-[(4-bromophenyl)methyl]-N-methyl-2-(prop-2-enylamino)acetamide?
The InChIKey is PYVDODIMDLUCHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrN2O/c1-3-8-15-9-13(17)16(2)10-11-4-6-12(14)7-5-11/h3-7,15H,1,8-10H2,2H3.
What are the key properties of N-[(4-bromophenyl)methyl]-N-methyl-2-(prop-2-enylamino)acetamide?
N-[(4-bromophenyl)methyl]-N-methyl-2-(prop-2-enylamino)acetamide has a molecular weight of 297.20 g/mol, XLogP of 2.18, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromophenyl)methyl]-N-methyl-2-(prop-2-enylamino)acetamide is sourced from PubChem (CID 78908264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).