N-(2-bromopropyl)-N-methyl-3-phenylpropanamide

C13H18BrNO — CID 80666025

IUPACN-(2-bromopropyl)-N-methyl-3-phenylpropanamide
SMILESCC(Br)CN(C)C(=O)CCc1ccccc1
InChIInChI=1S/C13H18BrNO/c1-11(14)10-15(2)13(16)9-8-12-6-4-3-5-7-12/h3-7,11H,8-10H2,1-2H3
InChIKeyVDQGBZXZTBNMOA-UHFFFAOYSA-N
MW284.20 g/mol
LogP2.86
Rot. Bonds5

About N-(2-bromopropyl)-N-methyl-3-phenylpropanamide

N-(2-bromopropyl)-N-methyl-3-phenylpropanamide (PubChem CID 80666025) has the molecular formula C13H18BrNO and a molecular weight of 284.20 g/mol. Its IUPAC name is N-(2-bromopropyl)-N-methyl-3-phenylpropanamide.

Molecular Properties

Compound NameN-(2-bromopropyl)-N-methyl-3-phenylpropanamide
PubChem CID80666025
Molecular FormulaC13H18BrNO
Molecular Weight284.20 g/mol
Exact Mass283.06
IUPAC NameN-(2-bromopropyl)-N-methyl-3-phenylpropanamide
SMILESCC(Br)CN(C)C(=O)CCc1ccccc1
InChIInChI=1S/C13H18BrNO/c1-11(14)10-15(2)13(16)9-8-12-6-4-3-5-7-12/h3-7,11H,8-10H2,1-2H3
InChIKeyVDQGBZXZTBNMOA-UHFFFAOYSA-N
XLogP2.86
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.20
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-[methyl(3-phenylpropanoyl)amino]propanoic acid
CID 62626349
N-[(3-bromocyclobutyl)methyl]-N-methyl-3-phenylpropanamide
CID 80672512
N-(2-hydroxypropyl)-N-methyl-3-(4-methylphenyl)propanamide
CID 55061165
4-bromo-1-phenylpentan-3-one
CID 121216753
2-(3-bromophenyl)-N-(2-bromopropyl)-N-methylacetamide
CID 80665086
3-[3-(4-tert-butylphenyl)propanoyl-methylamino]-2-methylpropanoic acid
CID 119228484
N-cyclopropyl-N-(2-methylpropyl)-3-phenylpropanamide
CID 78850523
N-(5-chloropentyl)-N-methyl-3-phenylpropanamide
CID 107205755
N-(2-bromopropyl)-N-methylpentanamide
CID 80666538
3-[4-[[methyl(3-phenylpropanoyl)amino]methyl]phenyl]-2-phenylpropanoic acid
CID 23176557
N-(2-bromopropyl)-2-(4-fluorophenyl)-N-methylacetamide
CID 80665709
N-(2-bromophenyl)-N-methyl-3-phenylpropanamide
CID 66744699

Frequently Asked Questions

What is the IUPAC name of N-(2-bromopropyl)-N-methyl-3-phenylpropanamide?
The IUPAC name of N-(2-bromopropyl)-N-methyl-3-phenylpropanamide (CID 80666025) is N-(2-bromopropyl)-N-methyl-3-phenylpropanamide.
What is the SMILES notation for N-(2-bromopropyl)-N-methyl-3-phenylpropanamide?
The canonical SMILES for N-(2-bromopropyl)-N-methyl-3-phenylpropanamide is CC(Br)CN(C)C(=O)CCc1ccccc1.
What is the InChIKey of N-(2-bromopropyl)-N-methyl-3-phenylpropanamide?
The InChIKey is VDQGBZXZTBNMOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrNO/c1-11(14)10-15(2)13(16)9-8-12-6-4-3-5-7-12/h3-7,11H,8-10H2,1-2H3.
What are the key properties of N-(2-bromopropyl)-N-methyl-3-phenylpropanamide?
N-(2-bromopropyl)-N-methyl-3-phenylpropanamide has a molecular weight of 284.20 g/mol, XLogP of 2.86, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromopropyl)-N-methyl-3-phenylpropanamide is sourced from PubChem (CID 80666025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).