N-(1-bromopropan-2-yl)-N-methyl-3-(2-methylphenyl)propanamide

C14H20BrNO — CID 104555951

IUPACN-(1-bromopropan-2-yl)-N-methyl-3-(2-methylphenyl)propanamide
SMILESCc1ccccc1CCC(=O)N(C)C(C)CBr
InChIInChI=1S/C14H20BrNO/c1-11-6-4-5-7-13(11)8-9-14(17)16(3)12(2)10-15/h4-7,12H,8-10H2,1-3H3
InChIKeyFQFNGRDVLZSYJG-UHFFFAOYSA-N
MW298.22 g/mol
LogP3.17
Rot. Bonds5

About N-(1-bromopropan-2-yl)-N-methyl-3-(2-methylphenyl)propanamide

N-(1-bromopropan-2-yl)-N-methyl-3-(2-methylphenyl)propanamide (PubChem CID 104555951) has the molecular formula C14H20BrNO and a molecular weight of 298.22 g/mol. Its IUPAC name is N-(1-bromopropan-2-yl)-N-methyl-3-(2-methylphenyl)propanamide.

Molecular Properties

Compound NameN-(1-bromopropan-2-yl)-N-methyl-3-(2-methylphenyl)propanamide
PubChem CID104555951
Molecular FormulaC14H20BrNO
Molecular Weight298.22 g/mol
Exact Mass297.07
IUPAC NameN-(1-bromopropan-2-yl)-N-methyl-3-(2-methylphenyl)propanamide
SMILESCc1ccccc1CCC(=O)N(C)C(C)CBr
InChIInChI=1S/C14H20BrNO/c1-11-6-4-5-7-13(11)8-9-14(17)16(3)12(2)10-15/h4-7,12H,8-10H2,1-3H3
InChIKeyFQFNGRDVLZSYJG-UHFFFAOYSA-N
XLogP3.17
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.22
LogP ≤ 53.17
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

N-(1-bromopropan-2-yl)-2-(2-hydroxyphenyl)-N-methylacetamide
CID 104556210
1,5-bis(2-methylphenyl)pentan-3-one
CID 15191871
N-(3-hydroxypropyl)-3-(2-methylphenyl)-N-propan-2-ylpropanamide
CID 62366412
N-(3-bromopropyl)-N-ethyl-3-(2-methylphenyl)propanamide
CID 113469201
N-(2-bromoethyl)-N-butyl-3-(2-methylphenyl)propanamide
CID 80659752
2-[3-(2-methylphenyl)propanoyl-(2-methylpropyl)amino]acetic acid
CID 63064470
N-(2-amino-1-cyclopropylethyl)-N-methyl-3-(2-methylphenyl)propanamide
CID 116651728
N-(2-hydroxyethyl)-N-methyl-3-(2-methylphenyl)propanamide
CID 62366240
N-(1-bromo-4-methylpentan-2-yl)-3-(2-methylphenyl)propanamide
CID 113274924
4-methyl-1-(2-methylphenyl)heptan-3-one
CID 107891244
ethyl 6-(2-methylphenyl)-4-oxohexanoate
CID 63900705
N-(1-cyanopropan-2-yl)-N-methyl-2-(2-methylphenyl)acetamide
CID 63224539

Frequently Asked Questions

What is the IUPAC name of N-(1-bromopropan-2-yl)-N-methyl-3-(2-methylphenyl)propanamide?
The IUPAC name of N-(1-bromopropan-2-yl)-N-methyl-3-(2-methylphenyl)propanamide (CID 104555951) is N-(1-bromopropan-2-yl)-N-methyl-3-(2-methylphenyl)propanamide.
What is the SMILES notation for N-(1-bromopropan-2-yl)-N-methyl-3-(2-methylphenyl)propanamide?
The canonical SMILES for N-(1-bromopropan-2-yl)-N-methyl-3-(2-methylphenyl)propanamide is Cc1ccccc1CCC(=O)N(C)C(C)CBr.
What is the InChIKey of N-(1-bromopropan-2-yl)-N-methyl-3-(2-methylphenyl)propanamide?
The InChIKey is FQFNGRDVLZSYJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrNO/c1-11-6-4-5-7-13(11)8-9-14(17)16(3)12(2)10-15/h4-7,12H,8-10H2,1-3H3.
What are the key properties of N-(1-bromopropan-2-yl)-N-methyl-3-(2-methylphenyl)propanamide?
N-(1-bromopropan-2-yl)-N-methyl-3-(2-methylphenyl)propanamide has a molecular weight of 298.22 g/mol, XLogP of 3.17, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-bromopropan-2-yl)-N-methyl-3-(2-methylphenyl)propanamide is sourced from PubChem (CID 104555951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).